 Entering Gaussian System, Link 0=g16
 Input=34_Cutfc2_180_STD_M11-augccpVDZr.in
 Output=34_Cutfc2_180_STD_M11-augccpVDZr.log
 AtFile(1): /user/pierpa/basis_sets/augccpVDZ.gbs
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            ****
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            ****
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            ****
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            ****
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            ****
            -Mn     0
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                  1.349768D+05          -8.570592D-06
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                  6.554800D-02           5.755741D-01
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            S    20   1.00
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                  5.931155D+05          -3.282099D-06
                  1.349768D+05          -1.667433D-05
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            S    1   1.00
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            ****
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                  5.188690D+01          -2.607900D-02
                  1.934190D+01          -1.082310D-01
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            ****
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                  8.715234D+05           6.647410D-05
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                  1.921470D-01           1.433224D-02
                  8.759500D-02          -6.671210D-03
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            S    20   1.00
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                  8.715234D+05           1.552973D-06
                  1.983350D+05           8.161259D-06
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                  8.759500D-02          -5.693429D-01
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                  8.715234D+05          -4.336894D-06
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            P    16   1.00
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                  1.876862D+03           1.440000D-04
                  7.182361D+02           6.450000D-04
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            P    16   1.00
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                  1.747518D+00           3.609760D-01
                  6.995600D-01           2.716570D-01
                  2.516080D-01           1.049810D-01
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                  6.144981D+01           2.617600D-02
                  2.305689D+01           1.113670D-01
                  9.577739D+00           3.045810D-01
                  4.133734D+00           3.862990D-01
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                  6.995600D-01          -5.388760D-01
                  2.516080D-01          -3.454730D-01
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                  1.461500D+00           7.546420D-01
            F    1   1.00
                  5.486100D-01           1.000000D+00
            ****
            -Ga     0
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                  7.271900D+04           1.604700D-03
                  1.655200D+04           8.340200D-03
                  4.687800D+03           3.402480D-02
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            S    14   1.00
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            S    14   1.00
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            D    1   1.00
                  0.0537000              1.0000000
            ****
            -Ge     0
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            ****
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            ****
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                  1.060579D+03           1.274240D-02
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                  1.289984D+02           2.085635D-01
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                  2.295942D+01           3.878103D-01
                  9.507300D+00           1.003820D-01
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                  1.750446D+00           2.713900D-03
                  5.291900D-01          -6.977000D-04
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            P    11   1.00
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                  1.060579D+03          -5.221200D-03
                  3.422081D+02          -2.684630D-02
                  1.289984D+02          -9.158230D-02
                  5.308722D+01          -1.968164D-01
                  2.295942D+01          -1.634750D-01
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                  4.083055D+00           5.981592D-01
                  1.750446D+00           2.750453D-01
                  5.291900D-01           1.277060D-02
                  1.643690D-01          -1.013500D-03
            P    11   1.00
                  4.474270D+03           1.701000D-04
                  1.060579D+03           1.406400D-03
                  3.422081D+02           7.396300D-03
                  1.289984D+02           2.482540D-02
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                  2.295942D+01           4.121320D-02
                  9.507300D+00          -8.760570D-02
                  4.083055D+00          -2.440586D-01
                  1.750446D+00          -2.950070D-02
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            P    1   1.00
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            D    5   1.00
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                  3.346525D+01           1.321620D-01
                  1.183046D+01           3.633484D-01
                  4.339771D+00           4.929582D-01
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            D    1   1.00
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            ****
            -Y     0
            S    7   1.00
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                 16.6827000             -0.0497340
                 10.4235000              0.1315590
                  3.0952600             -0.5243820
                  0.7079710              0.7863790
                  0.3225670              0.4639580
                  0.0690850              0.0204860
            S    7   1.00
                 29.2935000             -0.0013580
                 16.6827000              0.0123920
                 10.4235000             -0.0375720
                  3.0952600              0.1741090
                  0.7079710             -0.3385090
                  0.3225670             -0.3354170
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            S    7   1.00
                 29.2935000              0.0112420
                 16.6827000             -0.0574010
                 10.4235000              0.1106480
                  3.0952600             -0.3769430
                  0.7079710              1.2026360
                  0.3225670             -0.4875820
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            S    1   1.00
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            P    6   1.00
                  9.0271500              0.0203960
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                  0.4727970              0.4983480
                  0.2197340              0.1957420
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            P    6   1.00
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                  0.9906740             -0.1495270
                  0.4727970             -0.2243370
                  0.2197340             -0.0114700
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            P    6   1.00
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                  4.0242700             -0.0963010
                  0.9906740              0.2986850
                  0.4727970              0.8892190
                  0.2197340             -1.4854780
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            P    1   1.00
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            D    5   1.00
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                  0.5614050              0.2962740
                  0.2267020              0.3908730
                  0.0879490              0.3539610
            D    5   1.00
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                  1.3201900             -0.1499100
                  0.5614050             -0.3732930
                  0.2267020             -0.3129870
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
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            ****
            -Zr     0
            S    7   1.00
                 53.4460000              0.0014860
                 17.0981000             -0.0365920
                 10.6875000              0.1321550
                  3.3913400             -0.5464540
                  0.7884750              0.8022910
                  0.3599820              0.4583040
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            S    7   1.00
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                 17.0981000              0.0096310
                 10.6875000             -0.0390430
                  3.3913400              0.1847170
                  0.7884750             -0.3584690
                  0.3599820             -0.3208280
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            S    7   1.00
                 53.4460000              0.0028110
                 17.0981000             -0.0412920
                 10.6875000              0.1148910
                  3.3913400             -0.4348090
                  0.7884750              1.4174320
                  0.3599820             -0.7286190
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            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                  9.9011600              0.0214360
                  4.4181900             -0.1604130
                  1.0931000              0.4543260
                  0.5187860              0.4991190
                  0.2363630              0.1777830
                  0.0847070              0.0104040
            P    6   1.00
                  9.9011600             -0.0058310
                  4.4181900              0.0481520
                  1.0931000             -0.1600800
                  0.5187860             -0.2201350
                  0.2363630              0.0355150
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            P    6   1.00
                  9.9011600             -0.0078290
                  4.4181900              0.0660080
                  1.0931000             -0.2113740
                  0.5187860             -0.3575490
                  0.2363630              0.1703870
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            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  1.5708900              0.1278490
                  0.6923540              0.3219090
                  0.2904140              0.3998190
                  0.1158780              0.3194760
            D    5   1.00
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                  1.5708900             -0.1579890
                  0.6923540             -0.3979000
                  0.2904140             -0.2555990
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            D    1   1.00
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            D    1   1.00
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            F    1   1.00
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            F    1   1.00
                  0.0891000              1.0000000
            ****
            -Nb     0
            S    7   1.00
                 80.8096000              0.0008890
                 17.9220000             -0.0347930
                 11.2050000              0.1389100
                  3.6990100             -0.5655680
                  0.8712090              0.8147210
                  0.3974440              0.4547970
                  0.0854690              0.0200510
            S    7   1.00
                 80.8096000             -0.0002000
                 17.9220000              0.0093020
                 11.2050000             -0.0414910
                  3.6990100              0.1923710
                  0.8712090             -0.3713520
                  0.3974440             -0.3068350
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            S    7   1.00
                 80.8096000              0.0015640
                 17.9220000             -0.0382840
                 11.2050000              0.1209450
                  3.6990100             -0.4647790
                  0.8712090              1.5031600
                  0.3974440             -0.8262330
                  0.0854690             -1.5845850
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 10.6457000              0.0234360
                  4.8235100             -0.1683110
                  1.2030900              0.4693810
                  0.5695080              0.4980520
                  0.2569700              0.1675400
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            P    6   1.00
                 10.6457000             -0.0064960
                  4.8235100              0.0513810
                  1.2030900             -0.1706080
                  0.5695080             -0.2198720
                  0.2569700              0.0561670
                  0.0929460              0.6165950
            P    6   1.00
                 10.6457000             -0.0091300
                  4.8235100              0.0732300
                  1.2030900             -0.2370360
                  0.5695080             -0.3685640
                  0.2569700              0.2364390
                  0.0929460              0.8267330
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  4.5456300             -0.0104650
                  1.8272300              0.1305530
                  0.8257640              0.3347580
                  0.3551560              0.4020270
                  0.1447240              0.3008350
            D    5   1.00
                  4.5456300              0.0105280
                  1.8272300             -0.1615000
                  0.8257640             -0.4113720
                  0.3551560             -0.2117820
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            D    1   1.00
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            D    1   1.00
                  0.0204000              1.0000000
            F    1   1.00
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            F    1   1.00
                  0.1387000              1.0000000
            ****
            -Mo     0
            S    7   1.00
                106.9780000              0.0007350
                 18.8824000             -0.0350900
                 11.8077000              0.1473480
                  4.0211800             -0.5833630
                  0.9568160              0.8256350
                  0.4356920              0.4523110
                  0.0925180              0.0190550
            S    7   1.00
                106.9780000             -0.0001760
                 18.8824000              0.0093320
                 11.8077000             -0.0438110
                  4.0211800              0.1972320
                  0.9568160             -0.3773110
                  0.4356920             -0.2939670
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            S    7   1.00
                106.9780000              0.0011660
                 18.8824000             -0.0376070
                 11.8077000              0.1259800
                  4.0211800             -0.4752370
                  0.9568160              1.4989830
                  0.4356920             -0.8223450
                  0.0925180             -1.5606240
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 11.4118000              0.0253450
                  5.2453500             -0.1752130
                  1.3188400              0.4812720
                  0.6229830              0.4972610
                  0.2791080              0.1595550
                  0.1005260              0.0075430
            P    6   1.00
                 11.4118000             -0.0070220
                  5.2453500              0.0533390
                  1.3188400             -0.1756430
                  0.6229830             -0.2162130
                  0.2791080              0.0679580
                  0.1005260              0.6128160
            P    6   1.00
                 11.4118000             -0.0104200
                  5.2453500              0.0798670
                  1.3188400             -0.2629000
                  0.6229830             -0.3651840
                  0.2791080              0.2866730
                  0.1005260              0.8002580
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
                  5.2576100             -0.0147610
                  2.1046200              0.1319820
                  0.9582010              0.3470860
                  0.4140470              0.4054710
                  0.1684500              0.2880580
            D    5   1.00
                  5.2576100              0.0154390
                  2.1046200             -0.1606210
                  0.9582010             -0.4232290
                  0.4140470             -0.1923390
                  0.1684500              0.5314590
            D    1   1.00
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            D    1   1.00
                  0.0231000              1.0000000
            F    1   1.00
                  0.6007000              1.0000000
            F    1   1.00
                  0.1850000              1.0000000
            ****
            -Tc     0
            S    7   1.00
                132.6560000              0.0006860
                 19.8986000             -0.0360010
                 12.4450000              0.1564650
                  4.3605000             -0.5995730
                  1.0443600              0.8357100
                  0.4741590              0.4490550
                  0.0987360              0.0183780
            S    7   1.00
                132.6560000             -0.0001680
                 19.8986000              0.0093110
                 12.4450000             -0.0455350
                  4.3605000              0.1986020
                  1.0443600             -0.3749740
                  0.4741590             -0.2817600
                  0.0987360              0.6329980
            S    7   1.00
                132.6560000              0.0009800
                 19.8986000             -0.0378410
                 12.4450000              0.1317670
                  4.3605000             -0.4834180
                  1.0443600              1.4848540
                  0.4741590             -0.8047310
                  0.0987360             -1.5511910
            S    1   1.00
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            S    1   1.00
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            P    6   1.00
                 12.1789000              0.0273140
                  5.6848400             -0.1814030
                  1.4398300              0.4908910
                  0.6789090              0.4965410
                  0.3025150              0.1532990
                  0.1073070              0.0067000
            P    6   1.00
                 12.1789000             -0.0074300
                  5.6848400              0.0541370
                  1.4398300             -0.1762270
                  0.6789090             -0.2096540
                  0.3025150              0.0734980
                  0.1073070              0.6070490
            P    6   1.00
                 12.1789000             -0.0116300
                  5.6848400              0.0854050
                  1.4398300             -0.2844050
                  0.6789090             -0.3578760
                  0.3025150              0.3260330
                  0.1073070              0.7801240
            P    1   1.00
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            P    1   1.00
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            D    5   1.00
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                  2.3642400              0.1344070
                  1.0887100              0.3547260
                  0.4740600              0.4044790
                  0.1936070              0.2788770
            D    5   1.00
                  5.7601300              0.0169910
                  2.3642400             -0.1548960
                  1.0887100             -0.4281920
                  0.4740600             -0.1789920
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            D    1   1.00
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            D    1   1.00
                  0.0264000              1.0000000
            F    1   1.00
                  0.7228000              1.0000000
            F    1   1.00
                  0.2272000              1.0000000
            ****
            -Ru     0
            S    7   1.00
                159.3720000              0.0006730
                 20.9016000             -0.0371610
                 13.0741000              0.1665170
                  4.7147400             -0.6159540
                  1.1361200              0.8428300
                  0.5154640              0.4477630
                  0.1067670              0.0184450
            S    7   1.00
                159.3720000             -0.0001690
                 20.9016000              0.0093920
                 13.0741000             -0.0477130
                  4.7147400              0.2011130
                  1.1361200             -0.3734210
                  0.5154640             -0.2738590
                  0.1067670              0.6093840
            S    7   1.00
                159.3720000              0.0008950
                 20.9016000             -0.0396350
                 13.0741000              0.1442430
                  4.7147400             -0.5192870
                  1.1361200              1.5854040
                  0.5154640             -0.9082030
                  0.1067670             -1.4720020
            S    1   1.00
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            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                 12.8738000              0.0299680
                  6.1475000             -0.1879300
                  1.5652400              0.4999900
                  0.7361940              0.4957320
                  0.3263170              0.1475150
                  0.1124070              0.0060880
            P    6   1.00
                 12.8738000             -0.0078010
                  6.1475000              0.0536560
                  1.5652400             -0.1719400
                  0.7361940             -0.1991700
                  0.3263170              0.0744110
                  0.1124070              0.5971370
            P    6   1.00
                 12.8738000             -0.0135020
                  6.1475000              0.0937330
                  1.5652400             -0.3159100
                  0.7361940             -0.3618000
                  0.3263170              0.4008770
                  0.1124070              0.7537660
            P    1   1.00
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            P    1   1.00
                  0.0137000              1.0000000
            D    5   1.00
                  6.2126500             -0.0245970
                  2.7853900              0.1273340
                  1.2685100              0.3570810
                  0.5517900              0.4082070
                  0.2247310              0.2812400
            D    5   1.00
                  6.2126500              0.0261160
                  2.7853900             -0.1459400
                  1.2685100             -0.4425210
                  0.5517900             -0.1690200
                  0.2247310              0.5052370
            D    1   1.00
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            D    1   1.00
                  0.0302000              1.0000000
            F    1   1.00
                  0.8500000              1.0000000
            F    1   1.00
                  0.2719000              1.0000000
            ****
            -Rh     0
            S    7   1.00
                184.6660000              0.0006920
                 21.9974000             -0.0383930
                 13.7616000              0.1760190
                  5.0872000             -0.6299250
                  1.2294000              0.8495440
                  0.5568140              0.4457290
                  0.1140670              0.0182040
            S    7   1.00
                184.6660000             -0.0001780
                 21.9974000              0.0094560
                 13.7616000             -0.0494720
                  5.0872000              0.2018670
                  1.2294000             -0.3698090
                  0.5568140             -0.2653310
                  0.1140670              0.5891540
            S    7   1.00
                184.6660000              0.0008370
                 21.9974000             -0.0402860
                 13.7616000              0.1506490
                  5.0872000             -0.5268510
                  1.2294000              1.5723820
                  0.5568140             -0.8876430
                  0.1140670             -1.4709450
            S    1   1.00
                  0.0414150              1.0000000
            S    1   1.00
                  0.0150000              1.0000000
            P    6   1.00
                 13.6985000              0.0318210
                  6.6247600             -0.1930280
                  1.6961300              0.5062420
                  0.7973510              0.4949020
                  0.3520340              0.1440300
                  0.1233420              0.0056080
            P    6   1.00
                 13.6985000             -0.0085830
                  6.6247600              0.0568110
                  1.6961300             -0.1801720
                  0.7973510             -0.2034110
                  0.3520340              0.0848180
                  0.1233420              0.6010570
            P    6   1.00
                 13.6985000             -0.0151640
                  6.6247600              0.1011250
                  1.6961300             -0.3456410
                  0.7973510             -0.3454850
                  0.3520340              0.4221020
                  0.1233420              0.7304790
            P    1   1.00
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            P    1   1.00
                  0.0151000              1.0000000
            D    5   1.00
                 18.7370000              0.0064810
                 11.7046000             -0.0139420
                  2.2555800              0.2506820
                  0.9494110              0.4511110
                  0.3661640              0.3839990
            D    5   1.00
                 18.7370000             -0.0075900
                 11.7046000              0.0162940
                  2.2555800             -0.3347730
                  0.9494110             -0.4463960
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            D    1   1.00
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            D    1   1.00
                  0.0420000              1.0000000
            F    1   1.00
                  0.9936000              1.0000000
            F    1   1.00
                  0.3222000              1.0000000
            ****
            -Pd     0
            S    7   1.00
                208.1230000              0.0007270
                 22.8525000             -0.0409280
                 14.2986000              0.1922850
                  5.4880100             -0.6501040
                  1.3253200              0.8565530
                  0.5989570              0.4438760
                  0.1209830              0.0178500
            S    7   1.00
                208.1230000             -0.0001890
                 22.8525000              0.0098180
                 14.2986000             -0.0528760
                  5.4880100              0.2035110
                  1.3253200             -0.3639350
                  0.5989570             -0.2582190
                  0.1209830              0.5704320
            S    7   1.00
                208.1230000              0.0008000
                 22.8525000             -0.0417810
                 14.2986000              0.1593620
                  5.4880100             -0.5231230
                  1.3253200              1.4917730
                  0.5989570             -0.7916960
                  0.1209830             -1.5172540
            S    1   1.00
                  0.0434590              1.0000000
            S    1   1.00
                  0.0156000              1.0000000
            P    6   1.00
                 14.0509000              0.0379970
                  7.1390600             -0.2040770
                  1.8300700              0.5137680
                  0.8583350              0.4942400
                  0.3772750              0.1402910
                  0.1256960              0.0051570
            P    6   1.00
                 14.0509000             -0.0093130
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                  0.4340380             -0.3195670
                  0.1050310              0.6651050
            S    7   1.00
                 29.8670000              0.0324720
                 18.7203000             -0.1723550
                 11.7533000              0.3341840
                  4.5708900             -0.5725580
                  0.9478400              1.3652610
                  0.4340380             -0.6032250
                  0.1050310             -1.7315730
            S    1   1.00
                  0.0389480              1.0000000
            S    1   1.00
                  0.0144000              1.0000000
            P    6   1.00
                  7.3652400              0.1796820
                  4.7544000             -0.5211000
                  2.9959500              0.1911040
                  0.9941230              0.6464550
                  0.4196000              0.4240400
                  0.1182390              0.0425600
            P    6   1.00
                  7.3652400             -0.0508780
                  4.7544000              0.1495500
                  2.9959500             -0.0507540
                  0.9941230             -0.2483790
                  0.4196000             -0.1478010
                  0.1182390              0.5415390
            P    6   1.00
                  7.3652400             -0.0697670
                  4.7544000              0.2016550
                  2.9959500             -0.0482900
                  0.9941230             -0.4247200
                  0.4196000             -0.1275720
                  0.1182390              0.9415430
            P    1   1.00
                  0.0401010              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  7.5616000              0.0178690
                  4.7408700             -0.0661360
                  1.1697500              0.2554580
                  0.4793100              0.4454920
                  0.1837040              0.4029670
            D    5   1.00
                  7.5616000             -0.0205840
                  4.7408700              0.0780240
                  1.1697500             -0.3544000
                  0.4793100             -0.5155940
                  0.1837040              0.4207610
            D    1   1.00
                  0.0644090              1.0000000
            D    1   1.00
                  0.0226000              1.0000000
            F    1   1.00
                  0.3735000              1.0000000
            F    1   1.00
                  0.1286000              1.0000000
            ****
            -W     0
            S    7   1.00
                 31.1844000              0.0268990
                 19.5385000             -0.1892380
                 12.2602000              0.4339650
                  4.7203700             -0.8043720
                  1.0095700              0.9015400
                  0.4634560              0.4101950
                  0.1137920              0.0110440
            S    7   1.00
                 31.1844000             -0.0086330
                 19.5385000              0.0609770
                 12.2602000             -0.1418640
                  4.7203700              0.2797320
                  1.0095700             -0.4285050
                  0.4634560             -0.3050150
                  0.1137920              0.6713040
            S    7   1.00
                 31.1844000              0.0314780
                 19.5385000             -0.1676990
                 12.2602000              0.3282920
                  4.7203700             -0.5865250
                  1.0095700              1.4154490
                  0.4634560             -0.6488270
                  0.1137920             -1.6892530
            S    1   1.00
                  0.0416420              1.0000000
            S    1   1.00
                  0.0152000              1.0000000
            P    6   1.00
                  7.7873800              0.1852090
                  5.0493000             -0.5283120
                  3.1860200              0.1871580
                  1.0593700              0.6560130
                  0.4491060              0.4179250
                  0.1276250              0.0409650
            P    6   1.00
                  7.7873800             -0.0535080
                  5.0493000              0.1546790
                  3.1860200             -0.0504270
                  1.0593700             -0.2604500
                  0.4491060             -0.1384050
                  0.1276250              0.5459010
            P    6   1.00
                  7.7873800             -0.0749390
                  5.0493000              0.2120220
                  3.1860200             -0.0424460
                  1.0593700             -0.4793750
                  0.4491060             -0.0766750
                  0.1276250              0.9477960
            P    1   1.00
                  0.0427440              1.0000000
            P    1   1.00
                  0.0143000              1.0000000
            D    5   1.00
                  8.3098300              0.0219490
                  5.2246300             -0.0773760
                  1.2952900              0.2632410
                  0.5397610              0.4595460
                  0.2089270              0.3922120
            D    5   1.00
                  8.3098300             -0.0263810
                  5.2246300              0.0952520
                  1.2952900             -0.3960520
                  0.5397610             -0.5079960
                  0.2089270              0.5236000
            D    1   1.00
                  0.0731130              1.0000000
            D    1   1.00
                  0.0256000              1.0000000
            F    1   1.00
                  0.4769000              1.0000000
            F    1   1.00
                  0.1768000              1.0000000
            ****
            -Re     0
            S    7   1.00
                 33.0133000              0.0221330
                 20.6658000             -0.1618310
                 12.9498000              0.3812300
                  4.7782300             -0.7875220
                  1.0858000              0.8980810
                  0.5000250              0.4224690
                  0.1210690              0.0172060
            S    7   1.00
                 33.0133000             -0.0070680
                 20.6658000              0.0530520
                 12.9498000             -0.1282310
                  4.7782300              0.2853960
                  1.0858000             -0.4487810
                  0.5000250             -0.2976680
                  0.1210690              0.6634730
            S    7   1.00
                 33.0133000              0.0274240
                 20.6658000             -0.1468310
                 12.9498000              0.2908580
                  4.7782300             -0.5801000
                  1.0858000              1.4204980
                  0.5000250             -0.6321790
                  0.1210690             -1.6875030
            S    1   1.00
                  0.0438810              1.0000000
            S    1   1.00
                  0.0159000              1.0000000
            P    6   1.00
                  8.6759800              0.1394900
                  5.6538200             -0.3569770
                  1.4063900              0.4818040
                  0.6920560              0.5117960
                  0.3163520              0.1708180
                  0.1093090              0.0097820
            P    6   1.00
                  8.6759800             -0.0412390
                  5.6538200              0.1083450
                  1.4063900             -0.1688840
                  0.6920560             -0.2386860
                  0.3163520              0.0632430
                  0.1093090              0.6102210
            P    6   1.00
                  8.6759800             -0.0651350
                  5.6538200              0.1725300
                  1.4063900             -0.2649320
                  0.6920560             -0.4743410
                  0.3163520              0.3991830
                  0.1093090              0.8030920
            P    1   1.00
                  0.0385810              1.0000000
            P    1   1.00
                  0.0136000              1.0000000
            D    5   1.00
                  8.6719700              0.0171910
                  5.4414200             -0.0665390
                  1.3750800              0.2711570
                  0.5838300              0.4487710
                  0.2293620              0.3778590
            D    5   1.00
                  8.6719700             -0.0203340
                  5.4414200              0.0775390
                  1.3750800             -0.3686920
                  0.5838300             -0.4745880
                  0.2293620              0.4599950
            D    1   1.00
                  0.0808850              1.0000000
            D    1   1.00
                  0.0285000              1.0000000
            F    1   1.00
                  0.5533000              1.0000000
            F    1   1.00
                  0.2126000              1.0000000
            ****
            -Os     0
            S    7   1.00
                 34.5933000              0.0194050
                 21.6442000             -0.1468750
                 13.5521000              0.3551890
                  4.8950800             -0.7883690
                  1.1634600              0.9033000
                  0.5380840              0.4302560
                  0.1306730              0.0181640
            S    7   1.00
                 34.5933000             -0.0059240
                 21.6442000              0.0475810
                 13.5521000             -0.1198590
                  4.8950800              0.2905900
                  1.1634600             -0.4633260
                  0.5380840             -0.2910580
                  0.1306730              0.6489970
            S    7   1.00
                 34.5933000              0.0286790
                 21.6442000             -0.1533520
                 13.5521000              0.3066570
                  4.8950800             -0.6590400
                  1.1634600              1.6880660
                  0.5380840             -0.9098660
                  0.1306730             -1.5178370
            S    1   1.00
                  0.0469820              1.0000000
            S    1   1.00
                  0.0169000              1.0000000
            P    6   1.00
                  9.1259400              0.1316100
                  5.8907300             -0.3487910
                  1.4397800              0.5276330
                  0.6929760              0.5000040
                  0.3084380              0.1387070
                  0.1086800              0.0055910
            P    6   1.00
                  9.1259400             -0.0379630
                  5.8907300              0.1036120
                  1.4397800             -0.1857190
                  0.6929760             -0.2213770
                  0.3084380              0.0960590
                  0.1086800              0.6029380
            P    6   1.00
                  9.1259400             -0.0676070
                  5.8907300              0.1858450
                  1.4397800             -0.3480470
                  0.6929760             -0.4511480
                  0.3084380              0.5586130
                  0.1086800              0.7068530
            P    1   1.00
                  0.0381830              1.0000000
            P    1   1.00
                  0.0134000              1.0000000
            D    5   1.00
                  9.3395000              0.0158420
                  5.8557100             -0.0635100
                  1.4647600              0.2828700
                  0.6312200              0.4507810
                  0.2506620              0.3664550
            D    5   1.00
                  9.3395000             -0.0209240
                  5.8557100              0.0807150
                  1.4647600             -0.4242800
                  0.6312200             -0.4620180
                  0.2506620              0.5555660
            D    1   1.00
                  0.0891640              1.0000000
            D    1   1.00
                  0.0317000              1.0000000
            F    1   1.00
                  0.6278000              1.0000000
            F    1   1.00
                  0.2478000              1.0000000
            ****
            -Ir     0
            S    7   1.00
                 36.0577000              0.0172890
                 22.5516000             -0.1359910
                 14.1116000              0.3386690
                  5.0447500             -0.7941690
                  1.2441700              0.9080010
                  0.5769240              0.4378070
                  0.1394660              0.0187690
            S    7   1.00
                 36.0577000             -0.0049480
                 22.5516000              0.0431240
                 14.1116000             -0.1138030
                  5.0447500              0.2953180
                  1.2441700             -0.4732180
                  0.5769240             -0.2840000
                  0.1394660              0.6351880
            S    7   1.00
                 36.0577000              0.0290550
                 22.5516000             -0.1546790
                 14.1116000              0.3116730
                  5.0447500             -0.7039290
                  1.2441700              1.8161160
                  0.5769240             -1.0291110
                  0.1394660             -1.4393180
            S    1   1.00
                  0.0497400              1.0000000
            S    1   1.00
                  0.0177000              1.0000000
            P    6   1.00
                  9.5858000              0.1256510
                  6.1408800             -0.3433060
                  1.4976000              0.5536780
                  0.7141440              0.4910420
                  0.3120660              0.1228370
                  0.1151600              0.0033780
            P    6   1.00
                  9.5858000             -0.0379390
                  6.1408800              0.1069870
                  1.4976000             -0.2083670
                  0.7141440             -0.2217720
                  0.3120660              0.1266520
                  0.1151600              0.6103680
            P    6   1.00
                  9.5858000             -0.0740030
                  6.1408800              0.2101790
                  1.4976000             -0.4612670
                  0.7141440             -0.3768670
                  0.3120660              0.6521120
                  0.1151600              0.6073860
            P    1   1.00
                  0.0412770              1.0000000
            P    1   1.00
                  0.0148000              1.0000000
            D    5   1.00
                  9.9606900              0.0154630
                  6.2430300             -0.0631200
                  1.5631700              0.2923090
                  0.6819400              0.4527480
                  0.2734460              0.3571590
            D    5   1.00
                  9.9606900             -0.0198010
                  6.2430300              0.0777020
                  1.5631700             -0.4252400
                  0.6819400             -0.4331870
                  0.2734460              0.4752470
            D    1   1.00
                  0.0980080              1.0000000
            D    1   1.00
                  0.0351000              1.0000000
            F    1   1.00
                  0.7127000              1.0000000
            F    1   1.00
                  0.2898000              1.0000000
            ****
            -Pt     0
            S    7   1.00
                 37.3750000              0.0156980
                 23.3685000             -0.1285150
                 14.6164000              0.3299960
                  5.2209620             -0.8039770
                  1.3267320              0.9127650
                  0.6163210              0.4444260
                  0.1480680              0.0192250
            S    7   1.00
                 37.3750000             -0.0041400
                 23.3685000              0.0396870
                 14.6164000             -0.1100630
                  5.2209620              0.3003960
                  1.3267320             -0.4809750
                  0.6163210             -0.2769970
                  0.1480680              0.6216130
            S    7   1.00
                 37.3750000              0.0303040
                 23.3685000             -0.1595530
                 14.6164000              0.3222870
                  5.2209620             -0.7469090
                  1.3267320              1.9183060
                  0.6163210             -1.1164460
                  0.1480680             -1.3836520
            S    1   1.00
                  0.0523910              1.0000000
            S    1   1.00
                  0.0185000              1.0000000
            P    6   1.00
                  9.9926800              0.1240460
                  6.3831700             -0.3446320
                  1.5696500              0.5711200
                  0.7427790              0.4873560
                  0.3180200              0.1119590
                  0.1141460              0.0019280
            P    6   1.00
                  9.9926800             -0.0346870
                  6.3831700              0.0999320
                  1.5696500             -0.2018840
                  0.7427790             -0.1984590
                  0.3180200              0.1230340
                  0.1141460              0.5955770
            P    6   1.00
                  9.9926800             -0.0771530
                  6.3831700              0.2234940
                  1.5696500             -0.5228040
                  0.7427790             -0.3298980
                  0.3180200              0.7297730
                  0.1141460              0.5372880
            P    1   1.00
                  0.0398630              1.0000000
            P    1   1.00
                  0.0139000              1.0000000
            D    5   1.00
                 10.4126000              0.0150800
                  6.5226600             -0.0622950
                  1.6643000              0.3006490
                  0.7342080              0.4539610
                  0.2974070              0.3490010
            D    5   1.00
                 10.4126000             -0.0198660
                  6.5226600              0.0796630
                  1.6643000             -0.4687940
                  0.7342080             -0.4051740
                  0.2974070              0.5192890
            D    1   1.00
                  0.1075990              1.0000000
            D    1   1.00
                  0.0389000              1.0000000
            F    1   1.00
                  0.8018000              1.0000000
            F    1   1.00
                  0.3357000              1.0000000
            ****
            -Au     0
            S    8   1.00
                 38.0008000              0.0200090
                 23.9725000             -0.1516790
                 15.2182000              0.3639600
                  5.5399900             -0.8213260
                  1.3855100              0.9366410
                  0.6424610              0.4235270
                  0.1564960              0.0162500
                  0.0549100             -0.0009780
            S    8   1.00
                 38.0008000             -0.0053040
                 23.9725000              0.0463180
                 15.2182000             -0.1199400
                  5.5399900              0.3040620
                  1.3855100             -0.4945010
                  0.6424610             -0.2555160
                  0.1564960              0.6091630
                  0.0549100              0.5977670
            S    8   1.00
                 38.0008000              0.0323400
                 23.9725000             -0.1717620
                 15.2182000              0.3395030
                  5.5399900             -0.7461790
                  1.3855100              1.9174980
                  0.6424610             -1.1299310
                  0.1564960             -1.3662840
                  0.0549100              1.4423910
            S    1   1.00
                  0.0549100              1.0000000
            S    1   1.00
                  0.0193000              1.0000000
            P    7   1.00
                 10.3092000              0.1282170
                  6.6276500             -0.3537900
                  1.6744700              0.5662110
                  0.8011160              0.4931710
                  0.3468790              0.1137750
                  0.1227010              0.0025340
                  0.0424280              0.0006790
            P    7   1.00
                 10.3092000             -0.0358850
                  6.6276500              0.1028900
                  1.6744700             -0.2009880
                  0.8011160             -0.2010450
                  0.3468790              0.1165490
                  0.1227010              0.5949690
                  0.0424280              0.4555200
            P    7   1.00
                 10.3092000             -0.0772420
                  6.6276500              0.2226110
                  1.6744700             -0.4953530
                  0.8011160             -0.3607470
                  0.3468790              0.7100000
                  0.1227010              0.5688390
                  0.0424280              0.0011930
            P    1   1.00
                  0.0424280              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.0027000              0.0164670
                  6.8916600             -0.0680130
                  1.8080800              0.2994920
                  0.8210510              0.4543030
                  0.3441610              0.3442240
                  0.1297430              0.1212560
            D    6   1.00
                 11.0027000             -0.0236280
                  6.8916600              0.0956720
                  1.8080800             -0.5412940
                  0.8210510             -0.3955330
                  0.3441610              0.6191650
                  0.1297430              0.4682760
            D    1   1.00
                  0.1297430              1.0000000
            D    1   1.00
                  0.0489000              1.0000000
            F    1   1.00
                  0.8919000              1.0000000
            F    1   1.00
                  0.3789000              1.0000000
            ****
            -Hg     0
            S    8   1.00
                 41.4804000              0.0100720
                 22.5328000             -0.1147810
                 14.0790000              0.3564080
                  5.7247400             -0.8484430
                  1.4794800              0.9405960
                  0.6882660              0.4353290
                  0.1641810              0.0131780
                  0.0572230             -0.0023140
            S    8   1.00
                 41.4804000              0.0020320
                 22.5328000             -0.0323140
                 14.0790000              0.1153500
                  5.7247400             -0.3177630
                  1.4794800              0.5135230
                  0.6882660              0.2500500
                  0.1641810             -0.6488410
                  0.0572230             -0.5599430
            S    8   1.00
                 41.4804000              0.0218280
                 22.5328000             -0.1555640
                 14.0790000              0.3860250
                  5.7247400             -0.8961040
                  1.4794800              2.3321950
                  0.6882660             -1.5976600
                  0.1641810             -1.0536460
                  0.0572230              1.2895360
            S    1   1.00
                  0.0572230              1.0000000
            S    1   1.00
                  0.0199000              1.0000000
            P    7   1.00
                 10.5805000              0.1286920
                  6.8053900             -0.3608420
                  1.7901600              0.5641170
                  0.8622610              0.5002740
                  0.3752770              0.1137850
                  0.1284210              0.0029390
                  0.0434470              0.0004880
            P    7   1.00
                 10.5805000             -0.0344430
                  6.8053900              0.1009290
                  1.7901600             -0.1924390
                  0.8622610             -0.1960690
                  0.3752770              0.1042040
                  0.1284210              0.5873870
                  0.0434470              0.4727830
            P    7   1.00
                 10.5805000              0.0714680
                  6.8053900             -0.2108590
                  1.7901600              0.4452040
                  0.8622610              0.3916080
                  0.3752770             -0.6670830
                  0.1284210             -0.6195740
                  0.0434470             -0.0009090
            P    1   1.00
                  0.0434470              1.0000000
            P    1   1.00
                  0.0147000              1.0000000
            D    6   1.00
                 11.5841000              0.0167290
                  7.2487900             -0.0695580
                  1.9366200              0.3034370
                  0.8987480              0.4548780
                  0.3869310              0.3368080
                  0.1504660              0.1130160
            D    6   1.00
                 11.5841000             -0.0249840
                  7.2487900              0.1041030
                  1.9366200             -0.6169860
                  0.8987480             -0.3538260
                  0.3869310              0.6872800
                  0.1504660              0.3930900
            D    1   1.00
                  0.1504660              1.0000000
            D    1   1.00
                  0.0585000              1.0000000
            F    1   1.00
                  0.9974000              1.0000000
            F    1   1.00
                  0.4377000              1.0000000
            ****
            -Tl     0
            S    8   1.00
                 36.1096000              0.0229790
                 22.5732000             -0.1728970
                 14.1144000              0.4807030
                  6.1597600             -0.9532140
                  1.5706900              0.9608670
                  0.7459610              0.4319720
                  0.1958840              0.0131990
                  0.0710030             -0.0021060
            S    8   1.00
                 36.1096000              0.0059010
                 22.5732000             -0.0544410
                 14.1144000              0.1709120
                  6.1597600             -0.3868060
                  1.5706900              0.5717530
                  0.7459610              0.2895580
                  0.1958840             -0.7163850
                  0.0710030             -0.5289600
            S    1   1.00
                  0.1958840              1.0000000
            S    1   1.00
                  0.0710030              1.0000000
            S    1   1.00
                  0.0206000              1.0000000
            P    6   1.00
                 10.3856000              0.1621170
                  7.0093900             -0.4046950
                  1.7768800              0.6949780
                  0.7479420              0.4664960
                  0.1768080              0.0280130
                  0.0515320             -0.0041730
            P    6   1.00
                 10.3856000             -0.0391990
                  7.0093900              0.1017260
                  1.7768800             -0.2199420
                  0.7479420             -0.1194500
                  0.1768080              0.4597680
                  0.0515320              0.6763890
            P    1   1.00
                  0.0515320              1.0000000
            P    1   1.00
                  0.0130000              1.0000000
            D    6   1.00
                 10.9087000              0.0217120
                  6.8364900             -0.0832690
                  1.9974900              0.3418070
                  0.9144720              0.4833160
                  0.3895180              0.3047550
                  0.1501000              0.0649830
            D    1   1.00
                  0.1501000              1.0000000
            D    1   1.00
                  0.0437000              1.0000000
            ****
            -Pb     0
            S    8   1.00
                 37.4583000              0.0248240
                 23.3170000             -0.1810620
                 14.5759000              0.5007060
                  6.4337600             -0.9797370
                  1.6671900              0.9666300
                  0.8077320              0.4364870
                  0.2270840              0.0136860
                  0.0842520             -0.0020210
            S    8   1.00
                 37.4583000              0.0067850
                 23.3170000             -0.0601870
                 14.5759000              0.1889710
                  6.4337600             -0.4248380
                  1.6671900              0.6220350
                  0.8077320              0.3160880
                  0.2270840             -0.7594740
                  0.0842520             -0.5151310
            S    1   1.00
                  0.2270840              1.0000000
            S    1   1.00
                  0.0842520              1.0000000
            S    1   1.00
                  0.0278000              1.0000000
            P    6   1.00
                 10.6186000              0.1701740
                  7.1878100             -0.4241790
                  1.8943900              0.6934430
                  0.8167090              0.4737730
                  0.2036880              0.0290470
                  0.0649730             -0.0043860
            P    6   1.00
                 10.6186000             -0.0479540
                  7.1878100              0.1245560
                  1.8943900             -0.2597760
                  0.8167090             -0.1414800
                  0.2036880              0.5317690
                  0.0649730              0.6087590
            P    1   1.00
                  0.0649730              1.0000000
            P    1   1.00
                  0.0197000              1.0000000
            D    6   1.00
                 13.7266000              0.0107870
                  6.9898300             -0.0666500
                  2.1735200              0.3342590
                  1.0281200              0.4826840
                  0.4558570              0.3004140
                  0.1822000              0.0632580
            D    1   1.00
                  0.1822000              1.0000000
            D    1   1.00
                  0.0609000              1.0000000
            ****
            -Bi     0
            S    8   1.00
                211.8210000              0.0010880
                 21.3262000             -0.1058620
                 13.3654000              0.5308080
                  6.9461000             -1.0502650
                  1.7122900              0.9958560
                  0.8391070              0.3989520
                  0.2553640              0.0117780
                  0.0967000             -0.0014700
            S    8   1.00
                211.8210000              0.0004220
                 21.3262000             -0.0385370
                 13.3654000              0.2172380
                  6.9461000             -0.4810970
                  1.7122900              0.7015950
                  0.8391070              0.2905200
                  0.2553640             -0.7997780
                  0.0967000             -0.4961310
            S    1   1.00
                  0.2553640              1.0000000
            S    1   1.00
                  0.0967000              1.0000000
            S    1   1.00
                  0.0317000              1.0000000
            P    6   1.00
                 11.0644000              0.1672490
                  7.4500000             -0.4252620
                  2.0106900              0.6925250
                  0.8883210              0.4753740
                  0.2363690              0.0298590
                  0.0792900             -0.0044930
            P    6   1.00
                 11.0644000             -0.0522010
                  7.4500000              0.1390830
                  2.0106900             -0.2935560
                  0.8883210             -0.1585740
                  0.2363690              0.5743620
                  0.0792900              0.5726780
            P    1   1.00
                  0.0792900              1.0000000
            P    1   1.00
                  0.0254000              1.0000000
            D    6   1.00
                 16.2461000              0.0078080
                  6.9836300             -0.0668310
                  2.3747600              0.3241400
                  1.1537200              0.4858310
                  0.5259740              0.3010560
                  0.2151000              0.0631960
            D    1   1.00
                  0.2151000              1.0000000
            D    1   1.00
                  0.0745000              1.0000000
            ****
            -Po     0
            S    8   1.00
                295.3900000              0.0013830
                 21.2683000             -0.1050610
                 13.3379000              0.5914250
                  7.3652100             -1.1156970
                  1.7892000              1.0191620
                  0.8849940              0.3798790
                  0.2857870              0.0107810
                  0.1093240             -0.0011440
            S    8   1.00
                295.3900000              0.0006830
                 21.2683000             -0.0385730
                 13.3379000              0.2519580
                  7.3652100             -0.5330160
                  1.7892000              0.7669010
                  0.8849940              0.2818780
                  0.2857870             -0.8394770
                  0.1093240             -0.4792720
            S    1   1.00
                  0.2857870              1.0000000
            S    1   1.00
                  0.1093240              1.0000000
            S    1   1.00
                  0.0359000              1.0000000
            P    6   1.00
                 11.5069000              0.1663640
                  7.7299100             -0.4272350
                  2.1189400              0.6969640
                  0.9553230              0.4713590
                  0.2683520              0.0299870
                  0.0884940             -0.0034870
            P    6   1.00
                 11.5069000             -0.0559100
                  7.7299100              0.1511230
                  2.1189400             -0.3261600
                  0.9553230             -0.1614090
                  0.2683520              0.6016150
                  0.0884940              0.5559720
            P    1   1.00
                  0.0884940              1.0000000
            P    1   1.00
                  0.0278000              1.0000000
            D    6   1.00
                 18.7130000              0.0066940
                  7.0570800             -0.0671040
                  2.5506200              0.3257980
                  1.2506900              0.4957630
                  0.5742560              0.2931060
                  0.2330000              0.0541620
            D    1   1.00
                  0.2330000              1.0000000
            D    1   1.00
                  0.0895000              1.0000000
            ****
            -At     0
            S    8   1.00
                304.0310000              0.0010310
                 22.4085000             -0.1018690
                 14.0490000              0.5632730
                  7.5895000             -1.1045120
                  1.8949400              1.0263640
                  0.9523580              0.3833240
                  0.3170410              0.0113590
                  0.1224900             -0.0011400
            S    8   1.00
                304.0310000              0.0004960
                 22.4085000             -0.0387430
                 14.0490000              0.2490070
                  7.5895000             -0.5516910
                  1.8949400              0.8155580
                  0.9523580              0.2868020
                  0.3170410             -0.8682780
                  0.1224900             -0.4694960
            S    1   1.00
                  0.3170410              1.0000000
            S    1   1.00
                  0.1224900              1.0000000
            S    1   1.00
                  0.0404000              1.0000000
            P    6   1.00
                 12.0093000              0.1631810
                  8.0330000             -0.4244130
                  2.2239300              0.7031340
                  1.0213300              0.4641680
                  0.3012660              0.0302600
                  0.0999030             -0.0026180
            P    6   1.00
                 12.0093000             -0.0583630
                  8.0330000              0.1606310
                  2.2239300             -0.3589420
                  1.0213300             -0.1621230
                  0.3012660              0.6248880
                  0.0999030              0.5397840
            P    1   1.00
                  0.0999030              1.0000000
            P    1   1.00
                  0.0313000              1.0000000
            D    6   1.00
                 21.3084000              0.0061410
                  7.0207600             -0.0706690
                  2.7689800              0.3190200
                  1.3731400              0.5044700
                  0.6368040              0.2924810
                  0.2593000              0.0514950
            D    1   1.00
                  0.2593000              1.0000000
            D    1   1.00
                  0.1073000              1.0000000
            ****
            -Rn     0
            S    8   1.00
                383.5850000              0.0015720
                 23.2936000             -0.0761810
                 14.6096000              0.4785080
                  7.7319900             -1.0439020
                  1.9942400              1.0190710
                  1.0240700              0.3914520
                  0.3454220              0.0127820
                  0.1350810             -0.0012970
            S    8   1.00
                383.5850000              0.0009020
                 23.2936000             -0.0265350
                 14.6096000              0.2148510
                  7.7319900             -0.5453780
                  1.9942400              0.8694020
                  1.0240700              0.2728620
                  0.3454220             -0.8929670
                  0.1350810             -0.4539150
            S    1   1.00
                  0.3454220              1.0000000
            S    1   1.00
                  0.1350810              1.0000000
            S    1   1.00
                  0.0449000              1.0000000
            P    6   1.00
                 12.4992000              0.1629940
                  8.3397600             -0.4262290
                  2.3359100              0.7107760
                  1.0901900              0.4580860
                  0.3348980              0.0292130
                  0.1125460             -0.0031070
            P    6   1.00
                 12.4992000             -0.0609340
                  8.3397600              0.1694830
                  2.3359100             -0.3880550
                  1.0901900             -0.1612760
                  0.3348980              0.6446740
                  0.1125460              0.5255260
            P    1   1.00
                  0.1125460              1.0000000
            P    1   1.00
                  0.0348000              1.0000000
            D    6   1.00
                 24.1705000              0.0058780
                  6.9459900             -0.0765200
                  3.0380900              0.3071660
                  1.5168400              0.5141680
                  0.7091570              0.2972850
                  0.2888000              0.0512000
            D    1   1.00
                  0.2888000              1.0000000
            D    1   1.00
                  0.1251000              1.0000000
            ****
            
            -Y     0
            Y-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      7.85827500           135.13497400
            2      3.38212800            15.41163200
            p-g potential
              4
            2      6.84979100            29.25143700
            2      6.71009200            58.50836300
            2      3.04215900             3.78024300
            2      2.93733000             7.67654700
            d-g potential
              4
            2      5.41631500            11.84991100
            2      5.33341600            17.77810300
            2      1.97621200             2.06238300
            2      1.96111100             3.07565000
            f-g potential
              2
            2      5.02859000            -6.92807800
            2      5.00558200            -9.15509900
            -ZR     0
            ZR-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      8.63652800           150.24299400
            2      3.71763900            18.78003600
            p-g potential
              4
            2      7.62672800            33.19279100
            2      7.45320700            66.38903900
            2      3.35838900             4.62072600
            2      3.22973800             9.26027000
            d-g potential
              4
            2      5.93808600            13.99338300
            2      5.82554400            20.99588200
            2      2.20501900             2.28516600
            2      2.20629200             3.44126000
            f-g potential
              2
            2      4.80021500            -5.23932000
            2      4.79899200            -6.98742400
            -NB     0
            NB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2      9.37657800           165.15673600
            2      4.04357200            21.82395100
            p-g potential
              4
            2      8.36360900            37.24928400
            2      8.16689800            74.50738900
            2      3.69307500             5.43948600
            2      3.55104700            10.91325200
            d-g potential
              4
            2      6.68910800            15.21454900
            2      6.53719300            22.83350800
            2      2.55111800             3.00005200
            2      2.56789600             4.55373400
            f-g potential
              2
            2      5.56828500            -6.28135400
            2      5.67137200            -8.75564400
            -MO     0
            MO-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.09700000           180.07685300
            2      4.37567000            24.71592000
            p-g potential
              4
            2      9.12656400            41.22767800
            2      8.86322300            82.45267000
            2      4.04494800             6.34509200
            2      3.86665700            12.45842300
            d-g potential
              4
            2      7.53575400            19.30874400
            2      7.27897600            28.97767400
            2      2.76320500             3.18951600
            2      2.77208500             4.70016900
            f-g potential
              2
            2      6.30663300            -7.17888800
            2      6.35644800            -9.74597800
            -TC     0
            TC-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     10.79936900           195.09130300
            2      4.70725700            27.34041300
            p-g potential
              4
            2      9.82669900            45.06081200
            2      9.56111500            90.11729500
            2      4.37857800             7.07051700
            2      4.19090700            14.04801900
            d-g potential
              4
            2      8.33604500            21.65775500
            2      8.24453300            32.47195900
            2      3.09370700             3.78952500
            2      3.16872200             6.05343000
            f-g potential
              2
            2      7.04094000            -7.99562300
            2      7.06947300           -10.74569600
            -RU     0
            RU-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     11.50059000           209.78649300
            2      5.06857500            30.21430700
            p-g potential
              4
            2     10.53263400            48.75124400
            2     10.19201000            97.49652900
            2      4.73489200             7.86018800
            2      4.50906500            15.32975100
            d-g potential
              4
            2      8.87797700            26.96750600
            2      8.76612200            40.43230300
            2      3.17019600             3.34075800
            2      3.22885100             5.25635200
            f-g potential
              2
            2      7.82024900            -8.84752500
            2      7.83964700           -11.83551800
            -RH     0
            RH-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.19481600           225.31205400
            2      5.40513700            32.44158200
            p-g potential
              4
            2     11.28075500            52.87282600
            2     10.92724800           105.74552600
            2      5.09011700             8.61934400
            2      4.85183200            16.97345900
            d-g potential
              4
            2      9.13633700            25.10850100
            2      8.96480800            37.69573100
            2      3.64361200             4.20258400
            2      3.63600700             6.29279000
            f-g potential
              2
            2      8.61622800            -9.67356800
            2      8.62943500           -12.89984700
            -PD     0
            PD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.79882500           240.26278900
            2      5.80052800            34.72996100
            p-g potential
              4
            2     11.87469700            56.74692900
            2     11.47433500           113.44441700
            2      5.51599900             9.34563900
            2      5.24804300            18.34544700
            d-g potential
              4
            2      8.50221200            28.59555400
            2      7.98332400            43.45392100
            2      3.10762800             1.85228600
            2      2.47673400             1.40676500
            f-g potential
              2
            2      9.67957100           -10.98725500
            2      9.69134900           -14.62619000
            -AG     0
            AG-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     12.5677140            255.0547710
            2      6.9976620             36.9833930
            p-g potential
              4
            2     11.3164960             60.7157050
            2     10.9580630            121.4438890
            2      7.1114000             10.1718660
            2      6.7733190             20.4865640
            d-g potential
              4
            2      8.9284370             29.5049380
            2     11.1025670             44.0187360
            2      5.5432120              5.3683330
            2      3.9288350              7.4083750
            f-g potential
              2
            2     11.0129130            -12.6234030
            2     11.0198980            -16.7643270
            -CD     0
            CD-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     13.3551760            270.0394480
            2      7.3083780             38.8777660
            p-g potential
              4
            2     12.6597280             64.6074700
            2     12.2896390            129.2194450
            2      6.7861760             10.6225580
            2      6.4007430             21.2650460
            d-g potential
              4
            2     11.1617220             31.6639650
            2     11.2196150             47.4892160
            2      4.5377330              5.1862000
            2      4.3357270              7.5660630
            f-g potential
              2
            2     11.4789860            -12.6327850
            2     11.4870270            -16.7601710
            -IN     0
            IN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     15.3928220            281.1223500
            2      8.0558640             61.9014700
            p-g potential
              4
            2     13.9286720             67.4621540
            2     13.3472340            134.9492500
            2      7.6141320             14.7461400
            2      7.3183650             29.6392620
            d-g potential
              4
            2     14.0347150             35.4932540
            2     14.5116160             53.1787730
            2      5.5505500              9.1772810
            2      5.0594150             12.3924100
            f-g potential
              2
            2     12.5390560            -13.7280780
            2     12.5525610            -18.2068660
            -SN     0
            SN-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     17.4204140            279.9886820
            2      7.6311550             62.3778100
            p-g potential
              4
            2     16.1310240             66.1625230
            2     15.6280770            132.1743960
            2      7.3256080             16.3394170
            2      6.9425190             32.4889590
            d-g potential
              4
            2     15.5149760             36.3874410
            2     15.1881600             54.5078410
            2      5.4560240              8.6968230
            2      5.3631050             12.8402080
            f-g potential
              2
            2     12.2823480            -12.5763330
            2     12.2721500            -16.5959440
            -SB     0
            SB-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.3308650            281.0715810
            2      8.5565420             61.7166040
            p-g potential
              4
            2     14.4703370             67.4573800
            2     13.8161940            134.9335030
            2      8.4249240             14.7163440
            2      8.0927280             29.5185120
            d-g potential
              4
            2     14.8863310             35.4478150
            2     15.1463190             53.1434660
            2      5.9082670              9.1792230
            2      5.5943220             13.2402530
            f-g potential
              2
            2     14.4449780            -15.3668010
            2     14.4492950            -20.2961380
            -TE     0
            TE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              2
            2     16.8144730            281.0458430
            2      8.7935260             61.6206560
            p-g potential
              4
            2     14.8778010             67.4494640
            2     14.2697310            134.9043040
            2      8.7244350             14.6895470
            2      8.2915150             29.4150630
            d-g potential
              4
            2     15.2050080             35.4320570
            2     15.2258480             53.1356870
            2      6.0717690              9.0698020
            2      5.8047600             13.1223040
            f-g potential
              2
            2     15.2061680            -15.7454500
            2     15.2017020            -20.7424480
            -I     0
            I-ECP     4     28
            g potential
              1
            2      1.00000000             0.00000000
            s-g potential
              3
            2     40.03337600            49.98964900
            2     17.30057600           281.00655600
            2      8.85172000            61.41673900
            p-g potential
              4
            2     15.72014100            67.41623900
            2     15.20822200           134.80769600
            2      8.29418600            14.56654800
            2      7.75394900            28.96842200
            d-g potential
              4
            2     13.81775100            35.53875600
            2     13.58780500            53.33975900
            2      6.94763000             9.71646600
            2      6.96009900            14.97750000
            f-g potential
              4
            2     18.52295000           -20.17661800
            2     18.25103500           -26.08807700
            2      7.55790100            -0.22043400
            2      7.59740400            -0.22164600
            -XE     0
            XE-ECP     4     28
            g potential
              1
            2      1.0000000              0.0000000
            s-g potential
              3
            2     40.0051840             49.9979620
            2     17.8122140            281.0133030
            2      9.3041500             61.5382550
            p-g potential
              4
            2     15.7017720             67.4391420
            2     15.2586080            134.8747110
            2      9.2921840             14.6633000
            2      8.5590030             29.3547300
            d-g potential
              6
            2     15.1856000             35.4369080
            2     14.2845000             53.1957720
            2      7.1218890              9.0462320
            2      6.9919630             13.2236810
            2      0.6239460              0.0848530
            2      0.6472840              0.0441550
            f-g potential
              4
            2     20.8815570            -23.0892950
            2     20.7834430            -30.0744750
            2      5.2533890             -0.2882270
            2      5.3611880             -0.3869240
            -HF     0
            HF-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.24885600           478.23740400
            4     10.72912700             0.38802400
            2      1.96485600            -1.07123200
            p-h potential
              6
            2      8.68346200           101.04681800
            2      7.91692000           212.19776100
            4      9.37924300             0.13264600
            4      8.24420900             0.45310800
            2      1.59668600            -0.40791400
            2      1.71028100            -0.56181700
            d-h potential
              6
            2      5.18955700            43.11546700
            2      5.25322900            65.93473200
            4      5.93787100             0.02591200
            4      5.71290600             0.03374100
            2      1.01485600            -0.28057900
            2      0.47371200            -0.08484900
            f-h potential
              2
            2      1.91260800             4.81180100
            2      1.88074000             6.41857400
            g-h potential
              2
            2      2.72418000            -4.63658500
            2      2.70895300            -5.76728800
            -TA     0
            TA-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              3
            2     10.31806900           454.60064900
            4     10.54026700             2.83797500
            2      2.57472600            -0.81473600
            p-h potential
              6
            2      8.74334200            96.91078300
            2      7.91622300           195.85043200
            4      9.27573600             4.81252400
            4      8.10167500             6.33851200
            2      2.07712700            -0.45917300
            2      2.75037200            -0.64458600
            d-h potential
              6
            2      5.44731400            45.96997600
            2      5.21254500            69.63897200
            4      5.88435800             0.80293300
            4      5.64957900             0.42959500
            2      1.38818000            -0.30722700
            2      1.29439800            -0.46156000
            f-h potential
              2
            2      2.16127500             5.75777300
            2      2.12593900             7.67816700
            g-h potential
              2
            2      3.14592000            -5.68406600
            2      3.12794200            -7.06231300
            -W     0
            W-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     11.06379500           419.22759900
            2      8.21764100            41.19130700
            p-h potential
              6
            2      9.33818800           107.34811000
            2      8.43044800           214.69956800
            4      9.49002000             0.02544200
            4      9.48994700             0.05189500
            2      1.88299700            -0.11718400
            2      1.90697200             0.29668900
            d-h potential
              6
            2      6.20543300            58.88127900
            2      6.12215700            98.68355600
            4      6.27455600             0.01953700
            4      6.22637500             0.02195600
            2      1.96387500            -0.08857700
            2      1.88828700            -0.20972600
            f-h potential
              2
            2      2.30795300             6.23247200
            2      2.27060900             8.31134500
            g-h potential
              2
            2      3.58349100            -6.80294400
            2      3.56251500            -8.44323200
            -RE     0
            RE-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     12.16381400           421.97030000
            2      7.10759500            50.13443900
            p-h potential
              4
            2      9.68459700            88.48191000
            2      9.47621400           176.78722000
            2      7.66806600            10.43433800
            2      5.05515600            20.45874300
            d-h potential
              4
            2      6.50988800            43.16243100
            2      6.09121600            64.76775900
            2      4.16400600             5.34030100
            2      4.40737900             8.24333200
            f-h potential
              2
            2      2.56265800             7.24454300
            2      2.52154900             9.65926600
            g-h potential
              2
            2      4.03459900            -7.97494000
            2      4.00962800            -9.88273600
            -OS     0
            OS-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.00200100           424.39037600
            2      6.96276300            57.12250300
            p-h potential
              4
            2     10.49894100            88.27900300
            2      9.99252300           176.48606400
            2      6.58824800            11.71501200
            2      5.03716700            22.91500600
            d-h potential
              4
            2      7.08344100            44.77770800
            2      6.72117900            67.15364800
            2      3.79462600             5.55038700
            2      3.74812500             8.22010400
            f-h potential
              2
            2      2.82627600             8.32833200
            2      2.78119800            11.10310200
            g-h potential
              2
            2      4.49698100            -9.18134300
            2      4.46773800           -11.36160400
            -IR     0
            IR-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     13.83147400           426.95814900
            2      7.04791400            65.33881300
            p-h potential
              4
            2     11.10643300            88.07544200
            2     10.45655200           176.12477000
            2      6.37961400            12.68226000
            2      5.06472600            24.63594900
            d-h potential
              4
            2      7.54875400            46.43325800
            2      7.26530800            69.63807400
            2      3.80096900             6.15024800
            2      3.71828000             9.46356000
            f-h potential
              2
            2      3.09870600             9.48361000
            2      3.04946100            12.64274200
            g-h potential
              2
            2      4.96979000           -10.41069700
            2      4.93561400           -12.86319600
            -PT     0
            PT-ECP     5     60
            h potential
              1
            2      1.00000000             0.00000000
            s-h potential
              2
            2     14.60450000           429.64608700
            2      7.21828700            73.15688400
            p-h potential
              4
            2     11.57716200            88.02291700
            2     10.88384300           175.99819600
            2      6.42440300            13.68227400
            2      5.22419800            27.41465100
            d-h potential
              4
            2      7.69961000            43.55785200
            2      7.55080800            65.36910800
            2      3.96116400             7.01859600
            2      3.87277700            11.39173300
            f-h potential
              2
            2      3.37986900            10.71022000
            2      3.32625500            14.27812500
            g-h potential
              2
            2      5.45202000           -11.65174900
            2      5.41258500           -14.37552500
            -AU     0
            AU-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.5232180            426.6418670
            2      6.2643840             36.8006680
            p-h potential
              4
            2     11.4138670             87.0020910
            2     10.3292150            174.0043700
            2      5.7074240              8.8706100
            2      4.8281650             17.9024380
            d-h potential
              4
            2      7.4309630             49.8836550
            2      8.3219900             74.6845490
            2      4.6096420              6.4862270
            2      3.5115070              9.5468210
            f-h potential
              2
            2      3.0846390              8.7916400
            2      3.0247430             11.6584560
            g-h potential
              2
            2      3.9784420             -5.2343370
            2      4.0114910             -6.7381420
            -HG     0
            HG-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.4130710            275.7747970
            2      6.8979130             49.2678980
            p-h potential
              4
            2     11.3103200             80.5069840
            2     10.2107730            161.0348240
            2      5.9398040              9.0834160
            2      5.0197550             18.3677730
            d-h potential
              4
            2      8.4078950             51.1372560
            2      8.2140860             76.7074590
            2      4.0126120              6.5618210
            2      3.7953980              9.8180700
            f-h potential
              2
            2      3.2731060              9.4290010
            2      3.2083210             12.4948560
            g-h potential
              2
            2      4.4852960             -6.3384140
            2      4.5132000             -8.0998630
            -TL     0
            TL-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.1678050            281.2846630
            2      8.2949090             62.4342510
            p-h potential
              4
            2      7.1514920              4.6334080
            2      5.1728650              9.3417560
            2      9.8910720             72.2992530
            2      9.0033910            144.5580370
            d-h potential
              4
            2      7.1302180             35.9430390
            2      6.9269060             53.9095930
            2      5.4175700             10.3819390
            2      5.1386810             15.5838220
            f-h potential
              4
            2      5.6263990             15.8254880
            2      5.5489520             21.1040210
            2      2.8749460              2.9151270
            2      2.8214510              3.8969030
            g-h potential
              4
            2      6.6790570             -7.4945340
            2      6.7068350             -9.5405750
            2      7.2092840             -7.7979920
            2      7.0709640             -9.2595240
            -PB     0
            PB-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     12.2963030            281.2854990
            2      8.6326340             62.5202170
            p-h potential
              4
            2     10.2417900             72.2768970
            2      8.9241760            144.5910830
            2      6.5813420              4.7586930
            2      6.2554030              9.9406210
            d-h potential
              4
            2      7.7543360             35.8485070
            2      7.7202810             53.7243420
            2      4.9702640             10.1152560
            2      4.5637890             14.8337310
            f-h potential
              2
            2      3.8875120             12.2098920
            2      3.8119630             16.1902910
            g-h potential
              2
            2      5.6915770             -9.0966650
            2      5.7155670            -11.5319960
            -BI     0
            BI-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.0430900            283.2642270
            2      8.2216820             62.4719590
            p-h potential
              4
            2     10.4677770             72.0014990
            2      9.1189010            144.0022770
            2      6.7547910              5.0079450
            2      6.2525920              9.9915500
            d-h potential
              4
            2      8.0814740             36.3962590
            2      7.8905950             54.5976640
            2      4.9555560              9.9842940
            2      4.7045590             14.9814850
            f-h potential
              2
            2      4.2145460             13.7133830
            2      4.1334000             18.1943080
            g-h potential
              2
            2      6.2057090            -10.2474430
            2      6.2277820            -12.9557100
            -PO     0
            PO-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              2
            2     13.2772270            283.2447060
            2      8.3995180             62.3964610
            p-h potential
              4
            2     10.6656820             71.9917160
            2      9.2837530            143.9718710
            2      6.8727490              4.9496150
            2      6.3261500              9.7404990
            d-h potential
              4
            2      8.2148660             36.3783830
            2      8.0086960             54.5627150
            2      5.0552270              9.8894990
            2      4.7825530             14.6938770
            f-h potential
              4
            2      5.0132700             17.4282950
            2      4.9846400             23.3803530
            2      1.3267600              0.1633920
            2      1.5287580              0.3245660
            g-h potential
              2
            2      6.7715260            -11.5632940
            2      6.7779250            -14.5097880
            -AT     0
            AT-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.2008320             49.9571580
            2     13.6123060            283.2103710
            2      8.5293400             62.2810520
            p-h potential
              4
            2     10.8540650             71.9823710
            2      9.4682290            143.9035320
            2      7.0311140              4.8717590
            2      6.1438580              8.9830590
            d-h potential
              4
            2      8.3135150             36.3632370
            2      7.9989650             54.5489700
            2      5.1799660              9.7762850
            2      4.9422260             14.2647550
            f-h potential
              4
            2      5.8121630             19.8701980
            2      5.7537150             26.4164520
            2      2.5134720              0.9949700
            2      2.5362610              1.4907010
            g-h potential
              4
            2      9.8957780            -22.2232030
            2      9.7373340            -26.7154760
            2      3.0133310             -0.3730440
            2      3.0977630             -0.4859460
            -RN     0
            RN-ECP     5     60
            h potential
              1
            2      1.0000000              0.0000000
            s-h potential
              3
            2     30.1512420             49.9655510
            2     14.5212410            283.0700000
            2      8.0520380             62.0028700
            p-h potential
              4
            2     11.0099420             71.9691190
            2      9.6176250            143.8605590
            2      7.3360080              4.7147610
            2      6.4062530              9.0130650
            d-h potential
              4
            2      8.3692200             36.3683650
            2      8.1169750             54.5517610
            2      5.3536560              9.6344870
            2      5.0972120             14.3879020
            f-h potential
              4
            2      6.3485710             21.7972900
            2      6.2959490             28.9468050
            2      2.8821180              1.4473650
            2      2.9080480              2.1779640
            g-h potential
              4
            2     11.0152050            -25.2280950
            2     10.9098530            -30.5661210
            2      3.4827610             -0.5748000
            2      3.6004180             -0.7795380
            
 Initial command:
 /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe "/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/34_Cutfc2_180_STD/Gau-8622.inp" -scrdir="/projects/academic/jochena/pierpa/VROA36_Benchmark/VROA_532/Experimental_Lasers/M11_augccpVDZ/34_Cutfc2_180_STD/"
 Entering Link 1 = /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1.exe PID=      8625.
  
 Copyright (c) 1988,1990,1992,1993,1995,1998,2003,2009,2016,
            Gaussian, Inc.  All Rights Reserved.
  
 This is part of the Gaussian(R) 16 program.  It is based on
 the Gaussian(R) 09 system (copyright 2009, Gaussian, Inc.),
 the Gaussian(R) 03 system (copyright 2003, Gaussian, Inc.),
 the Gaussian(R) 98 system (copyright 1998, Gaussian, Inc.),
 the Gaussian(R) 94 system (copyright 1995, Gaussian, Inc.),
 the Gaussian 92(TM) system (copyright 1992, Gaussian, Inc.),
 the Gaussian 90(TM) system (copyright 1990, Gaussian, Inc.),
 the Gaussian 88(TM) system (copyright 1988, Gaussian, Inc.),
 the Gaussian 86(TM) system (copyright 1986, Carnegie Mellon
 University), and the Gaussian 82(TM) system (copyright 1983,
 Carnegie Mellon University). Gaussian is a federally registered
 trademark of Gaussian, Inc.
  
 This software contains proprietary and confidential information,
 including trade secrets, belonging to Gaussian, Inc.
  
 This software is provided under written license and may be
 used, copied, transmitted, or stored only in accord with that
 written license.
  
 The following legend is applicable only to US Government
 contracts under FAR:
  
                    RESTRICTED RIGHTS LEGEND
  
 Use, reproduction and disclosure by the US Government is
 subject to restrictions as set forth in subparagraphs (a)
 and (c) of the Commercial Computer Software - Restricted
 Rights clause in FAR 52.227-19.
  
 Gaussian, Inc.
 340 Quinnipiac St., Bldg. 40, Wallingford CT 06492
  
  
 ---------------------------------------------------------------
 Warning -- This program may not be used in any manner that
 competes with the business of Gaussian, Inc. or will provide
 assistance to any competitor of Gaussian, Inc.  The licensee
 of this program is prohibited from giving any competitor of
 Gaussian, Inc. access to this program.  By using this program,
 the user acknowledges that Gaussian, Inc. is engaged in the
 business of creating and licensing software in the field of
 computational chemistry and represents and warrants to the
 licensee that it is not a competitor of Gaussian, Inc. and that
 it will not use this program in any manner prohibited above.
 ---------------------------------------------------------------
  

 Cite this work as:
 Gaussian 16, Revision A.03,
 M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, 
 M. A. Robb, J. R. Cheeseman, G. Scalmani, V. Barone, 
 G. A. Petersson, H. Nakatsuji, X. Li, M. Caricato, A. V. Marenich, 
 J. Bloino, B. G. Janesko, R. Gomperts, B. Mennucci, H. P. Hratchian, 
 J. V. Ortiz, A. F. Izmaylov, J. L. Sonnenberg, D. Williams-Young, 
 F. Ding, F. Lipparini, F. Egidi, J. Goings, B. Peng, A. Petrone, 
 T. Henderson, D. Ranasinghe, V. G. Zakrzewski, J. Gao, N. Rega, 
 G. Zheng, W. Liang, M. Hada, M. Ehara, K. Toyota, R. Fukuda, 
 J. Hasegawa, M. Ishida, T. Nakajima, Y. Honda, O. Kitao, H. Nakai, 
 T. Vreven, K. Throssell, J. A. Montgomery, Jr., J. E. Peralta, 
 F. Ogliaro, M. J. Bearpark, J. J. Heyd, E. N. Brothers, K. N. Kudin, 
 V. N. Staroverov, T. A. Keith, R. Kobayashi, J. Normand, 
 K. Raghavachari, A. P. Rendell, J. C. Burant, S. S. Iyengar, 
 J. Tomasi, M. Cossi, J. M. Millam, M. Klene, C. Adamo, R. Cammi, 
 J. W. Ochterski, R. L. Martin, K. Morokuma, O. Farkas, 
 J. B. Foresman, and D. J. Fox, Gaussian, Inc., Wallingford CT, 2016.
 
 ******************************************
 Gaussian 16:  ES64L-G16RevA.03 25-Dec-2016
                26-Aug-2021 
 ******************************************
 %NoSave
 %nproc=8
 Will use up to    8 processors via shared memory.
 %mem=120GB
 %chk=34_Cutfc2_180_STD_M11-augccpVDZr
 ----------------------------------------------------------------------
 #P M11/Gen Integral=(Acc2E=11,UltraFineGrid) SCF=(NoSymm,MaxCyc=120) P
 olar=ROA Guess=Read Geom=Check CPHF=(MaxInv=10000,RdFreq)
 ----------------------------------------------------------------------
 1/29=2,38=1,83=21,172=1/1;
 2/12=2,40=1/2;
 3/5=7,11=2,14=-4,25=1,27=11,30=1,36=2,74=-64,75=-5,116=-2/1,2,3;
 4/5=1,9=2/1;
 5/5=2,7=120,38=6,87=11,98=1/2;
 8/6=4,10=90,11=11,87=11/1;
 10/11=10000,13=10,49=112,72=3,87=11/2;
 6/7=2,8=2,9=2,10=2,28=1,87=11/1;
 7/8=1,25=21,87=11/16;
 99/5=1/99;
 Leave Link    1 at Thu Aug 26 09:35:12 2021, MaxMem= 16106127360 cpu:               2.0 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l101.exe)
 -----------------
 ROA calculations.
 -----------------
 Structure from the checkpoint file:  "34_Cutfc2_180_STD_M11-augccpVDZr.chk"
 Charge =  0 Multiplicity = 2
 No Z-Matrix found in chk file; cartesian coordinates used.
  C                                                 5.099189000000      0.440206000000     -1.428409000000
  C                                                 4.731367000000     -0.240607000000     -0.085627000000
  C                                                 3.223966000000     -0.413575000000     -0.107245000000
  C                                                 2.685578000000      0.888598000000      0.050956000000
  C                                                 3.857708000000      1.846944000000      0.170466000000
  C                                                 4.459164000000      1.846107000000     -1.275796000000
  C                                                 4.878568000000      0.930415000000      0.934933000000
  O                                                 1.485437000000      1.253491000000      0.059935000000
  Cu                                                0.000100000000      0.000628000000     -0.111188000000
  O                                                 1.155806000000     -1.546914000000     -0.283129000000
  C                                                 2.427016000000     -1.519432000000     -0.275967000000
  C                                                 3.097988000000     -2.895910000000     -0.446361000000
  F                                                 3.746500000000     -3.253326000000      0.684028000000
  C                                                 3.525621000000      3.209255000000      0.729727000000
  C                                                 6.288600000000      1.512264000000      1.023048000000
  C                                                 4.431398000000      0.565329000000      2.351712000000
  O                                                -1.484776000000     -1.252395000000      0.062240000000
  C                                                -2.685073000000     -0.888091000000      0.052533000000
  C                                                -3.856654000000     -1.847121000000      0.171372000000
  C                                                -4.879081000000     -0.931125000000      0.934122000000
  C                                                -4.731450000000      0.239700000000     -0.086568000000
  C                                                -3.224067000000      0.413721000000     -0.106548000000
  C                                                -5.096948000000     -0.441777000000     -1.429742000000
  C                                                -4.456232000000     -1.847217000000     -1.275752000000
  C                                                -4.434200000000     -0.565116000000      2.351407000000
  C                                                -6.288814000000     -1.513979000000      1.020449000000
  C                                                -3.524139000000     -3.208880000000      0.731602000000
  C                                                -2.427505000000      1.519898000000     -0.275246000000
  C                                                -3.098928000000      2.896075000000     -0.446098000000
  F                                                -3.748035000000      3.253436000000      0.683949000000
  O                                                -1.156290000000      1.547906000000     -0.282123000000
  F                                                -4.015383000000      2.869040000000     -1.437941000000
  F                                                -2.221369000000      3.854951000000     -0.731289000000
  F                                                 2.220196000000     -3.854504000000     -0.731746000000
  F                                                 4.014874000000     -2.869434000000     -1.437825000000
  H                                                -5.193611000000     -2.645511000000     -1.356540000000
  H                                                -3.684327000000     -2.048367000000     -2.018226000000
  H                                                -6.176309000000     -0.504616000000     -1.564390000000
  H                                                -4.693640000000      0.114211000000     -2.273497000000
  H                                                -5.304693000000      1.133517000000      0.143304000000
  H                                                -3.427207000000     -0.151786000000      2.387118000000
  H                                                -4.460809000000     -1.442475000000      3.000035000000
  H                                                -5.110963000000      0.178663000000      2.776572000000
  H                                                -6.681562000000     -1.855923000000      0.066139000000
  H                                                -6.976490000000     -0.760930000000      1.411632000000
  H                                                -6.307299000000     -2.360780000000      1.708786000000
  H                                                -2.775352000000     -3.706325000000      0.114374000000
  H                                                -4.414073000000     -3.839066000000      0.763825000000
  H                                                -3.117149000000     -3.135162000000      1.740847000000
  H                                                 4.455851000000      1.443442000000      2.999407000000
  H                                                 3.424754000000      0.151031000000      2.385787000000
  H                                                 5.108062000000     -0.177342000000      2.778949000000
  H                                                 6.306680000000      2.359398000000      1.710998000000
  H                                                 6.975033000000      0.758853000000      1.415687000000
  H                                                 6.683210000000      1.853370000000      0.069195000000
  H                                                 6.178793000000      0.502379000000     -1.561409000000
  H                                                 4.696804000000     -0.115850000000     -2.272564000000
  H                                                 3.688368000000      2.047471000000     -2.019358000000
  H                                                 5.197113000000      2.643970000000     -1.355751000000
  H                                                 5.303585000000     -1.134834000000      0.145257000000
  H                                                 4.416122000000      3.838641000000      0.762925000000
  H                                                 2.778203000000      3.707158000000      0.111199000000
  H                                                 3.117094000000      3.136380000000      1.738400000000
 Recover connectivity data from disk.
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0  0
 ITRead=  0  0  0
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1 -1
 MicOpt= -1 -1 -1
 NAtoms=     63 NQM=       63 NQMF=       0 NMMI=      0 NMMIF=      0
                NMic=       0 NMicF=      0.
                    Isotopes and Nuclear Properties:
 (Nuclear quadrupole moments (NQMom) in fm**2, nuclear magnetic moments (NMagM)
  in nuclear magnetons)

  Atom         1           2           3           4           5           6           7           8           9          10
 IAtWgt=          12          12          12          12          12          12          12          16          63          16
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  15.9949146  62.9295992  15.9949146
 NucSpn=           0           0           0           0           0           0           0           0           3           0
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   5.6000000  25.5200000   5.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000 -22.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.2233000   0.0000000
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   8.0000000  29.0000000   8.0000000

  Atom        11          12          13          14          15          16          17          18          19          20
 IAtWgt=          12          12          19          12          12          12          16          12          12          12
 AtmWgt=  12.0000000  12.0000000  18.9984033  12.0000000  12.0000000  12.0000000  15.9949146  12.0000000  12.0000000  12.0000000
 NucSpn=           0           0           1           0           0           0           0           0           0           0
 AtZEff=   3.6000000   3.6000000   6.7500000   3.6000000   3.6000000   3.6000000   5.6000000   3.6000000   3.6000000   3.6000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   2.6288670   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 AtZNuc=   6.0000000   6.0000000   9.0000000   6.0000000   6.0000000   6.0000000   8.0000000   6.0000000   6.0000000   6.0000000

  Atom        21          22          23          24          25          26          27          28          29          30
 IAtWgt=          12          12          12          12          12          12          12          12          12          19
 AtmWgt=  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  12.0000000  18.9984033
 NucSpn=           0           0           0           0           0           0           0           0           0           1
 AtZEff=   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   3.6000000   6.7500000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   2.6288670
 AtZNuc=   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   6.0000000   9.0000000

  Atom        31          32          33          34          35          36          37          38          39          40
 IAtWgt=          16          19          19          19          19           1           1           1           1           1
 AtmWgt=  15.9949146  18.9984033  18.9984033  18.9984033  18.9984033   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           0           1           1           1           1           1           1           1           1           1
 AtZEff=   5.6000000   6.7500000   6.7500000   6.7500000   6.7500000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    0.0000000   2.6288670   2.6288670   2.6288670   2.6288670   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   8.0000000   9.0000000   9.0000000   9.0000000   9.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        41          42          43          44          45          46          47          48          49          50
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        51          52          53          54          55          56          57          58          59          60
 IAtWgt=           1           1           1           1           1           1           1           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1           1           1           1           1           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000   1.0000000

  Atom        61          62          63
 IAtWgt=           1           1           1
 AtmWgt=   1.0078250   1.0078250   1.0078250
 NucSpn=           1           1           1
 AtZEff=   1.0000000   1.0000000   1.0000000
 NQMom=    0.0000000   0.0000000   0.0000000
 NMagM=    2.7928460   2.7928460   2.7928460
 AtZNuc=   1.0000000   1.0000000   1.0000000
 Using perturbation frequencies:    0.085645
 Leave Link  101 at Thu Aug 26 09:35:13 2021, MaxMem= 16106127360 cpu:               1.5 elap:               0.3
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l202.exe)
 Stoichiometry    C24H28CuF6O4(2)
 Framework group  C1[X(C24H28CuF6O4)]
 Deg. of freedom   183
 Full point group                 C1      NOp   1
 RotChk:  IX=0 Diff= 5.72D-16
 Largest Abelian subgroup         C1      NOp   1
 Largest concise Abelian subgroup C1      NOp   1
                         Standard orientation:                         
 ---------------------------------------------------------------------
 Center     Atomic      Atomic             Coordinates (Angstroms)
 Number     Number       Type             X           Y           Z
 ---------------------------------------------------------------------
      1          6           0        5.099189    0.440206   -1.428409
      2          6           0        4.731367   -0.240607   -0.085627
      3          6           0        3.223966   -0.413575   -0.107245
      4          6           0        2.685578    0.888598    0.050956
      5          6           0        3.857708    1.846944    0.170466
      6          6           0        4.459164    1.846107   -1.275796
      7          6           0        4.878568    0.930415    0.934933
      8          8           0        1.485437    1.253491    0.059935
      9         29           0        0.000100    0.000628   -0.111188
     10          8           0        1.155806   -1.546914   -0.283129
     11          6           0        2.427016   -1.519432   -0.275967
     12          6           0        3.097988   -2.895910   -0.446361
     13          9           0        3.746500   -3.253326    0.684028
     14          6           0        3.525621    3.209255    0.729727
     15          6           0        6.288600    1.512264    1.023048
     16          6           0        4.431398    0.565329    2.351712
     17          8           0       -1.484776   -1.252395    0.062240
     18          6           0       -2.685073   -0.888091    0.052533
     19          6           0       -3.856654   -1.847121    0.171372
     20          6           0       -4.879081   -0.931125    0.934122
     21          6           0       -4.731450    0.239700   -0.086568
     22          6           0       -3.224067    0.413721   -0.106548
     23          6           0       -5.096948   -0.441777   -1.429742
     24          6           0       -4.456232   -1.847217   -1.275752
     25          6           0       -4.434200   -0.565116    2.351407
     26          6           0       -6.288814   -1.513979    1.020449
     27          6           0       -3.524139   -3.208880    0.731602
     28          6           0       -2.427505    1.519898   -0.275246
     29          6           0       -3.098928    2.896075   -0.446098
     30          9           0       -3.748035    3.253436    0.683949
     31          8           0       -1.156290    1.547906   -0.282123
     32          9           0       -4.015383    2.869040   -1.437941
     33          9           0       -2.221369    3.854951   -0.731289
     34          9           0        2.220196   -3.854504   -0.731746
     35          9           0        4.014874   -2.869434   -1.437825
     36          1           0       -5.193611   -2.645511   -1.356540
     37          1           0       -3.684327   -2.048367   -2.018226
     38          1           0       -6.176309   -0.504616   -1.564390
     39          1           0       -4.693640    0.114211   -2.273497
     40          1           0       -5.304693    1.133517    0.143304
     41          1           0       -3.427207   -0.151786    2.387118
     42          1           0       -4.460809   -1.442475    3.000035
     43          1           0       -5.110963    0.178663    2.776572
     44          1           0       -6.681562   -1.855923    0.066139
     45          1           0       -6.976490   -0.760930    1.411632
     46          1           0       -6.307299   -2.360780    1.708786
     47          1           0       -2.775352   -3.706325    0.114374
     48          1           0       -4.414073   -3.839066    0.763825
     49          1           0       -3.117149   -3.135162    1.740847
     50          1           0        4.455851    1.443442    2.999407
     51          1           0        3.424754    0.151031    2.385787
     52          1           0        5.108062   -0.177342    2.778949
     53          1           0        6.306680    2.359398    1.710998
     54          1           0        6.975033    0.758853    1.415687
     55          1           0        6.683210    1.853370    0.069195
     56          1           0        6.178793    0.502379   -1.561409
     57          1           0        4.696804   -0.115850   -2.272564
     58          1           0        3.688368    2.047471   -2.019358
     59          1           0        5.197113    2.643970   -1.355751
     60          1           0        5.303585   -1.134834    0.145257
     61          1           0        4.416122    3.838641    0.762925
     62          1           0        2.778203    3.707158    0.111199
     63          1           0        3.117094    3.136380    1.738400
 ---------------------------------------------------------------------
 Rotational constants (GHZ):           0.1806786           0.0651713           0.0528734
 Leave Link  202 at Thu Aug 26 09:35:13 2021, MaxMem= 16106127360 cpu:               0.7 elap:               0.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l301.exe)
 General basis read from cards:  (5D, 7F)
 Centers:      36     37     38     39     40     41     42     43     44     45
 Centers:      46     47     48     49     50     51     52     53     54     55
 Centers:      56     57     58     59     60     61     62     63
 S 4 1.00
     Exponent=  1.3010000000D+01 Coefficients=  1.9685000000D-02
     Exponent=  1.9620000000D+00 Coefficients=  1.3797700000D-01
     Exponent=  4.4460000000D-01 Coefficients=  4.7814800000D-01
     Exponent=  1.2200000000D-01 Coefficients=  5.0124000000D-01
 S 1 1.00
     Exponent=  1.2200000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  2.9740000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  7.2700000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.4100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       1      2      3      4      5      6      7     11     12     14
 Centers:      15     16     18     19     20     21     22     23     24     25
 Centers:      26     27     28     29
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients=  6.9200000000D-04
     Exponent=  1.0000000000D+03 Coefficients=  5.3290000000D-03
     Exponent=  2.2800000000D+02 Coefficients=  2.7077000000D-02
     Exponent=  6.4710000000D+01 Coefficients=  1.0171800000D-01
     Exponent=  2.1060000000D+01 Coefficients=  2.7474000000D-01
     Exponent=  7.4950000000D+00 Coefficients=  4.4856400000D-01
     Exponent=  2.7970000000D+00 Coefficients=  2.8507400000D-01
     Exponent=  5.2150000000D-01 Coefficients=  1.5204000000D-02
     Exponent=  1.5960000000D-01 Coefficients= -3.1910000000D-03
 S 9 1.00
     Exponent=  6.6650000000D+03 Coefficients= -1.4600000000D-04
     Exponent=  1.0000000000D+03 Coefficients= -1.1540000000D-03
     Exponent=  2.2800000000D+02 Coefficients= -5.7250000000D-03
     Exponent=  6.4710000000D+01 Coefficients= -2.3312000000D-02
     Exponent=  2.1060000000D+01 Coefficients= -6.3955000000D-02
     Exponent=  7.4950000000D+00 Coefficients= -1.4998100000D-01
     Exponent=  2.7970000000D+00 Coefficients= -1.2726200000D-01
     Exponent=  5.2150000000D-01 Coefficients=  5.4452900000D-01
     Exponent=  1.5960000000D-01 Coefficients=  5.8049600000D-01
 S 1 1.00
     Exponent=  1.5960000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  4.6900000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  9.4390000000D+00 Coefficients=  3.8109000000D-02
     Exponent=  2.0020000000D+00 Coefficients=  2.0948000000D-01
     Exponent=  5.4560000000D-01 Coefficients=  5.0855700000D-01
     Exponent=  1.5170000000D-01 Coefficients=  4.6884200000D-01
 P 1 1.00
     Exponent=  1.5170000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  4.0410000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  5.5000000000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.5100000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       8     10     17     31
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients=  7.1000000000D-04
     Exponent=  1.7590000000D+03 Coefficients=  5.4700000000D-03
     Exponent=  4.0080000000D+02 Coefficients=  2.7837000000D-02
     Exponent=  1.1370000000D+02 Coefficients=  1.0480000000D-01
     Exponent=  3.7030000000D+01 Coefficients=  2.8306200000D-01
     Exponent=  1.3270000000D+01 Coefficients=  4.4871900000D-01
     Exponent=  5.0250000000D+00 Coefficients=  2.7095200000D-01
     Exponent=  1.0130000000D+00 Coefficients=  1.5458000000D-02
     Exponent=  3.0230000000D-01 Coefficients= -2.5850000000D-03
 S 9 1.00
     Exponent=  1.1720000000D+04 Coefficients= -1.6000000000D-04
     Exponent=  1.7590000000D+03 Coefficients= -1.2630000000D-03
     Exponent=  4.0080000000D+02 Coefficients= -6.2670000000D-03
     Exponent=  1.1370000000D+02 Coefficients= -2.5716000000D-02
     Exponent=  3.7030000000D+01 Coefficients= -7.0924000000D-02
     Exponent=  1.3270000000D+01 Coefficients= -1.6541100000D-01
     Exponent=  5.0250000000D+00 Coefficients= -1.1695500000D-01
     Exponent=  1.0130000000D+00 Coefficients=  5.5736800000D-01
     Exponent=  3.0230000000D-01 Coefficients=  5.7275900000D-01
 S 1 1.00
     Exponent=  3.0230000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  7.8960000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  1.7700000000D+01 Coefficients=  4.3018000000D-02
     Exponent=  3.8540000000D+00 Coefficients=  2.2891300000D-01
     Exponent=  1.0460000000D+00 Coefficients=  5.0872800000D-01
     Exponent=  2.7530000000D-01 Coefficients=  4.6053100000D-01
 P 1 1.00
     Exponent=  2.7530000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  6.8560000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.1850000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  3.3200000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:      13     30     32     33     34     35
 S 9 1.00
     Exponent=  1.4710000000D+04 Coefficients=  7.2100000000D-04
     Exponent=  2.2070000000D+03 Coefficients=  5.5530000000D-03
     Exponent=  5.0280000000D+02 Coefficients=  2.8267000000D-02
     Exponent=  1.4260000000D+02 Coefficients=  1.0644400000D-01
     Exponent=  4.6470000000D+01 Coefficients=  2.8681400000D-01
     Exponent=  1.6700000000D+01 Coefficients=  4.4864100000D-01
     Exponent=  6.3560000000D+00 Coefficients=  2.6476100000D-01
     Exponent=  1.3160000000D+00 Coefficients=  1.5333000000D-02
     Exponent=  3.8970000000D-01 Coefficients= -2.3320000000D-03
 S 9 1.00
     Exponent=  1.4710000000D+04 Coefficients= -1.6500000000D-04
     Exponent=  2.2070000000D+03 Coefficients= -1.3080000000D-03
     Exponent=  5.0280000000D+02 Coefficients= -6.4950000000D-03
     Exponent=  1.4260000000D+02 Coefficients= -2.6691000000D-02
     Exponent=  4.6470000000D+01 Coefficients= -7.3690000000D-02
     Exponent=  1.6700000000D+01 Coefficients= -1.7077600000D-01
     Exponent=  6.3560000000D+00 Coefficients= -1.1232700000D-01
     Exponent=  1.3160000000D+00 Coefficients=  5.6281400000D-01
     Exponent=  3.8970000000D-01 Coefficients=  5.6877800000D-01
 S 1 1.00
     Exponent=  3.8970000000D-01 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  9.8630000000D-02 Coefficients=  1.0000000000D+00
 P 4 1.00
     Exponent=  2.2670000000D+01 Coefficients=  4.4878000000D-02
     Exponent=  4.9770000000D+00 Coefficients=  2.3571800000D-01
     Exponent=  1.3470000000D+00 Coefficients=  5.0852100000D-01
     Exponent=  3.4710000000D-01 Coefficients=  4.5812000000D-01
 P 1 1.00
     Exponent=  3.4710000000D-01 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  8.5020000000D-02 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  1.6400000000D+00 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  4.6400000000D-01 Coefficients=  1.0000000000D+00
 ****
 Centers:       9
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients=  7.8010260000D-06
     Exponent=  8.1316650000D+05 Coefficients=  6.0656660000D-05
     Exponent=  1.8505440000D+05 Coefficients=  3.1889640000D-04
     Exponent=  5.2414660000D+04 Coefficients=  1.3446870000D-03
     Exponent=  1.7098680000D+04 Coefficients=  4.8690500000D-03
     Exponent=  6.1719940000D+03 Coefficients=  1.5610130000D-02
     Exponent=  2.4064810000D+03 Coefficients=  4.4520770000D-02
     Exponent=  9.9725840000D+02 Coefficients=  1.1031110000D-01
     Exponent=  4.3392890000D+02 Coefficients=  2.2203420000D-01
     Exponent=  1.9628690000D+02 Coefficients=  3.1337390000D-01
     Exponent=  9.1042800000D+01 Coefficients=  2.3151210000D-01
     Exponent=  4.1384250000D+01 Coefficients=  7.6409200000D-02
     Exponent=  1.9932780000D+01 Coefficients=  1.1038180000D-01
     Exponent=  9.5818910000D+00 Coefficients=  1.0943720000D-01
     Exponent=  4.2345160000D+00 Coefficients=  1.8363110000D-02
     Exponent=  1.9858140000D+00 Coefficients= -6.0430840000D-04
     Exponent=  8.6708300000D-01 Coefficients=  5.0922450000D-05
     Exponent=  1.8133900000D-01 Coefficients= -5.5407300000D-05
     Exponent=  8.3657000000D-02 Coefficients=  3.9694820000D-05
     Exponent=  3.6267000000D-02 Coefficients= -1.2695380000D-05
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients= -4.4047060000D-06
     Exponent=  8.1316650000D+05 Coefficients= -3.4248010000D-05
     Exponent=  1.8505440000D+05 Coefficients= -1.8012380000D-04
     Exponent=  5.2414660000D+04 Coefficients= -7.6004550000D-04
     Exponent=  1.7098680000D+04 Coefficients= -2.7593480000D-03
     Exponent=  6.1719940000D+03 Coefficients= -8.9009700000D-03
     Exponent=  2.4064810000D+03 Coefficients= -2.5793780000D-02
     Exponent=  9.9725840000D+02 Coefficients= -6.6238610000D-02
     Exponent=  4.3392890000D+02 Coefficients= -1.4459270000D-01
     Exponent=  1.9628690000D+02 Coefficients= -2.4401100000D-01
     Exponent=  9.1042800000D+01 Coefficients= -2.5048370000D-01
     Exponent=  4.1384250000D+01 Coefficients=  2.8525770000D-02
     Exponent=  1.9932780000D+01 Coefficients=  5.1158740000D-01
     Exponent=  9.5818910000D+00 Coefficients=  4.9280610000D-01
     Exponent=  4.2345160000D+00 Coefficients=  8.7884370000D-02
     Exponent=  1.9858140000D+00 Coefficients= -5.8202810000D-03
     Exponent=  8.6708300000D-01 Coefficients=  2.0135080000D-04
     Exponent=  1.8133900000D-01 Coefficients= -5.1825530000D-04
     Exponent=  8.3657000000D-02 Coefficients=  3.7315030000D-04
     Exponent=  3.6267000000D-02 Coefficients= -1.1931710000D-04
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients=  9.7046820000D-07
     Exponent=  8.1316650000D+05 Coefficients=  7.5492450000D-06
     Exponent=  1.8505440000D+05 Coefficients=  3.9688920000D-05
     Exponent=  5.2414660000D+04 Coefficients=  1.6772000000D-04
     Exponent=  1.7098680000D+04 Coefficients=  6.0951010000D-04
     Exponent=  6.1719940000D+03 Coefficients=  1.9788460000D-03
     Exponent=  2.4064810000D+03 Coefficients=  5.7980490000D-03
     Exponent=  9.9725840000D+02 Coefficients=  1.5341580000D-02
     Exponent=  4.3392890000D+02 Coefficients=  3.5404840000D-02
     Exponent=  1.9628690000D+02 Coefficients=  6.7020980000D-02
     Exponent=  9.1042800000D+01 Coefficients=  8.0269450000D-02
     Exponent=  4.1384250000D+01 Coefficients= -1.9272310000D-02
     Exponent=  1.9932780000D+01 Coefficients= -3.1601290000D-01
     Exponent=  9.5818910000D+00 Coefficients= -4.5731620000D-01
     Exponent=  4.2345160000D+00 Coefficients=  1.5508410000D-01
     Exponent=  1.9858140000D+00 Coefficients=  7.2028720000D-01
     Exponent=  8.6708300000D-01 Coefficients=  3.8851220000D-01
     Exponent=  1.8133900000D-01 Coefficients=  1.9243260000D-02
     Exponent=  8.3657000000D-02 Coefficients= -7.1038070000D-03
     Exponent=  3.6267000000D-02 Coefficients=  3.2729060000D-03
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients= -1.9593540000D-07
     Exponent=  8.1316650000D+05 Coefficients= -1.5234720000D-06
     Exponent=  1.8505440000D+05 Coefficients= -8.0148080000D-06
     Exponent=  5.2414660000D+04 Coefficients= -3.3839920000D-05
     Exponent=  1.7098680000D+04 Coefficients= -1.2311910000D-04
     Exponent=  6.1719940000D+03 Coefficients= -3.9920850000D-04
     Exponent=  2.4064810000D+03 Coefficients= -1.1719000000D-03
     Exponent=  9.9725840000D+02 Coefficients= -3.0961410000D-03
     Exponent=  4.3392890000D+02 Coefficients= -7.1719930000D-03
     Exponent=  1.9628690000D+02 Coefficients= -1.3566210000D-02
     Exponent=  9.1042800000D+01 Coefficients= -1.6439890000D-02
     Exponent=  4.1384250000D+01 Coefficients=  4.1076280000D-03
     Exponent=  1.9932780000D+01 Coefficients=  6.6939640000D-02
     Exponent=  9.5818910000D+00 Coefficients=  1.0282210000D-01
     Exponent=  4.2345160000D+00 Coefficients= -4.4229450000D-02
     Exponent=  1.9858140000D+00 Coefficients= -2.0311910000D-01
     Exponent=  8.6708300000D-01 Coefficients= -2.2300220000D-01
     Exponent=  1.8133900000D-01 Coefficients=  2.5179750000D-01
     Exponent=  8.3657000000D-02 Coefficients=  5.6500910000D-01
     Exponent=  3.6267000000D-02 Coefficients=  3.2472430000D-01
 S 20 1.00
     Exponent=  5.4303210000D+06 Coefficients= -3.5322290000D-07
     Exponent=  8.1316650000D+05 Coefficients= -2.7988120000D-06
     Exponent=  1.8505440000D+05 Coefficients= -1.4325170000D-05
     Exponent=  5.2414660000D+04 Coefficients= -6.2709460000D-05
     Exponent=  1.7098680000D+04 Coefficients= -2.1794900000D-04
     Exponent=  6.1719940000D+03 Coefficients= -7.4743160000D-04
     Exponent=  2.4064810000D+03 Coefficients= -2.0492710000D-03
     Exponent=  9.9725840000D+02 Coefficients= -5.8852030000D-03
     Exponent=  4.3392890000D+02 Coefficients= -1.2268850000D-02
     Exponent=  1.9628690000D+02 Coefficients= -2.6831470000D-02
     Exponent=  9.1042800000D+01 Coefficients= -2.4792610000D-02
     Exponent=  4.1384250000D+01 Coefficients= -5.9847460000D-03
     Exponent=  1.9932780000D+01 Coefficients=  1.5571240000D-01
     Exponent=  9.5818910000D+00 Coefficients=  1.4366830000D-01
     Exponent=  4.2345160000D+00 Coefficients=  8.3741030000D-03
     Exponent=  1.9858140000D+00 Coefficients= -7.4607110000D-01
     Exponent=  8.6708300000D-01 Coefficients=  1.2443670000D-01
     Exponent=  1.8133900000D-01 Coefficients=  1.5101100000D+00
     Exponent=  8.3657000000D-02 Coefficients= -3.4771220000D-01
     Exponent=  3.6267000000D-02 Coefficients= -9.7741690000D-01
 S 1 1.00
     Exponent=  3.6267000000D-02 Coefficients=  1.0000000000D+00
 S 1 1.00
     Exponent=  1.5720000000D-02 Coefficients=  1.0000000000D+00
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients=  4.0000000000D-05
     Exponent=  5.3876790000D+03 Coefficients=  3.6100000000D-04
     Exponent=  1.7499450000D+03 Coefficients=  2.0830000000D-03
     Exponent=  6.6966530000D+02 Coefficients=  9.1970000000D-03
     Exponent=  2.8419480000D+02 Coefficients=  3.2660000000D-02
     Exponent=  1.2960770000D+02 Coefficients=  9.3795000000D-02
     Exponent=  6.2254150000D+01 Coefficients=  2.0827400000D-01
     Exponent=  3.0929640000D+01 Coefficients=  3.3399300000D-01
     Exponent=  1.5758270000D+01 Coefficients=  3.3249300000D-01
     Exponent=  8.0942110000D+00 Coefficients=  1.5472800000D-01
     Exponent=  4.0469210000D+00 Coefficients=  2.1271000000D-02
     Exponent=  1.9678690000D+00 Coefficients= -1.6900000000D-03
     Exponent=  9.2529500000D-01 Coefficients= -1.5160000000D-03
     Exponent=  3.5299200000D-01 Coefficients= -2.4200000000D-04
     Exponent=  1.2730700000D-01 Coefficients=  2.3000000000D-05
     Exponent=  4.4356000000D-02 Coefficients= -9.0000000000D-06
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients= -1.5000000000D-05
     Exponent=  5.3876790000D+03 Coefficients= -1.3100000000D-04
     Exponent=  1.7499450000D+03 Coefficients= -7.5500000000D-04
     Exponent=  6.6966530000D+02 Coefficients= -3.3590000000D-03
     Exponent=  2.8419480000D+02 Coefficients= -1.2081000000D-02
     Exponent=  1.2960770000D+02 Coefficients= -3.5703000000D-02
     Exponent=  6.2254150000D+01 Coefficients= -8.2502000000D-02
     Exponent=  3.0929640000D+01 Coefficients= -1.3989000000D-01
     Exponent=  1.5758270000D+01 Coefficients= -1.4072900000D-01
     Exponent=  8.0942110000D+00 Coefficients=  3.8766000000D-02
     Exponent=  4.0469210000D+00 Coefficients=  3.4269500000D-01
     Exponent=  1.9678690000D+00 Coefficients=  4.5231000000D-01
     Exponent=  9.2529500000D-01 Coefficients=  2.7705400000D-01
     Exponent=  3.5299200000D-01 Coefficients=  4.3885000000D-02
     Exponent=  1.2730700000D-01 Coefficients= -2.8020000000D-03
     Exponent=  4.4356000000D-02 Coefficients=  1.1520000000D-03
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients=  3.0000000000D-06
     Exponent=  5.3876790000D+03 Coefficients=  2.5000000000D-05
     Exponent=  1.7499450000D+03 Coefficients=  1.4700000000D-04
     Exponent=  6.6966530000D+02 Coefficients=  6.5600000000D-04
     Exponent=  2.8419480000D+02 Coefficients=  2.3510000000D-03
     Exponent=  1.2960770000D+02 Coefficients=  7.0040000000D-03
     Exponent=  6.2254150000D+01 Coefficients=  1.6131000000D-02
     Exponent=  3.0929640000D+01 Coefficients=  2.7770000000D-02
     Exponent=  1.5758270000D+01 Coefficients=  2.7567000000D-02
     Exponent=  8.0942110000D+00 Coefficients= -1.0115000000D-02
     Exponent=  4.0469210000D+00 Coefficients= -8.1009000000D-02
     Exponent=  1.9678690000D+00 Coefficients= -1.1040900000D-01
     Exponent=  9.2529500000D-01 Coefficients= -7.1732000000D-02
     Exponent=  3.5299200000D-01 Coefficients=  1.8793000000D-01
     Exponent=  1.2730700000D-01 Coefficients=  5.6462900000D-01
     Exponent=  4.4356000000D-02 Coefficients=  4.0700000000D-01
 P 16 1.00
     Exponent=  2.2760570000D+04 Coefficients=  5.0000000000D-06
     Exponent=  5.3876790000D+03 Coefficients=  4.9000000000D-05
     Exponent=  1.7499450000D+03 Coefficients=  2.7800000000D-04
     Exponent=  6.6966530000D+02 Coefficients=  1.2530000000D-03
     Exponent=  2.8419480000D+02 Coefficients=  4.4470000000D-03
     Exponent=  1.2960770000D+02 Coefficients=  1.3370000000D-02
     Exponent=  6.2254150000D+01 Coefficients=  3.0469000000D-02
     Exponent=  3.0929640000D+01 Coefficients=  5.3447000000D-02
     Exponent=  1.5758270000D+01 Coefficients=  5.2639000000D-02
     Exponent=  8.0942110000D+00 Coefficients= -1.6881000000D-02
     Exponent=  4.0469210000D+00 Coefficients= -1.7944800000D-01
     Exponent=  1.9678690000D+00 Coefficients= -2.0958800000D-01
     Exponent=  9.2529500000D-01 Coefficients= -3.9633000000D-02
     Exponent=  3.5299200000D-01 Coefficients=  5.0213000000D-01
     Exponent=  1.2730700000D-01 Coefficients=  5.8111100000D-01
     Exponent=  4.4356000000D-02 Coefficients=  4.5666000000D-02
 P 1 1.00
     Exponent=  4.4356000000D-02 Coefficients=  1.0000000000D+00
 P 1 1.00
     Exponent=  1.5450000000D-02 Coefficients=  1.0000000000D+00
 D 8 1.00
     Exponent=  1.7389700000D+02 Coefficients=  2.7000000000D-03
     Exponent=  5.1886900000D+01 Coefficients=  2.0909000000D-02
     Exponent=  1.9341900000D+01 Coefficients=  8.4408000000D-02
     Exponent=  7.9757200000D+00 Coefficients=  2.1399900000D-01
     Exponent=  3.3982300000D+00 Coefficients=  3.3598000000D-01
     Exponent=  1.4093200000D+00 Coefficients=  3.5730100000D-01
     Exponent=  5.4885800000D-01 Coefficients=  2.6457800000D-01
     Exponent=  1.9019900000D-01 Coefficients=  1.0397200000D-01
 D 8 1.00
     Exponent=  1.7389700000D+02 Coefficients= -3.3630000000D-03
     Exponent=  5.1886900000D+01 Coefficients= -2.6079000000D-02
     Exponent=  1.9341900000D+01 Coefficients= -1.0823100000D-01
     Exponent=  7.9757200000D+00 Coefficients= -2.8221700000D-01
     Exponent=  3.3982300000D+00 Coefficients= -3.4719000000D-01
     Exponent=  1.4093200000D+00 Coefficients=  2.6711000000D-02
     Exponent=  5.4885800000D-01 Coefficients=  4.9204700000D-01
     Exponent=  1.9019900000D-01 Coefficients=  4.3842200000D-01
 D 1 1.00
     Exponent=  1.9019900000D-01 Coefficients=  1.0000000000D+00
 D 1 1.00
     Exponent=  6.5910000000D-02 Coefficients=  1.0000000000D+00
 F 2 1.00
     Exponent=  5.0286000000D+00 Coefficients=  4.2428000000D-01
     Exponent=  1.2594000000D+00 Coefficients=  7.6302500000D-01
 F 1 1.00
     Exponent=  4.6172000000D-01 Coefficients=  1.0000000000D+00
 ****
 Ernie: Thresh=  0.10000D-02 Tol=  0.10000D-05 Strict=F.
 Ernie:  166 primitive shells out of 1365 were deleted.
 There are  1171 symmetry adapted cartesian basis functions of A   symmetry.
 There are  1093 symmetry adapted basis functions of A   symmetry.
  1093 basis functions,  2248 primitive gaussians,  1171 cartesian basis functions
   144 alpha electrons      143 beta electrons
       nuclear repulsion energy      4927.4744946401 Hartrees.
 IExCor= 5042 DFT=T Ex+Corr=M11 ExCW=0 ScaHFX=  1.000000
 ScaDFX=  1.000000  1.000000  1.000000  1.000000 ScalE2=  1.000000  1.000000
 IRadAn=      5 IRanWt=     -1 IRanGd=            0 ICorTp=0 IEmpDi=  4
 HFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.428000 cShort=  0.000000 cLong=  0.572000
 DFx  wShort=  0.000000 wLong=  0.250000 cFull=  0.000000 cShort=  0.000000 cLong=  1.000000
 NAtoms=   63 NActive=   63 NUniq=   63 SFac= 1.00D+00 NAtFMM=   60 NAOKFM=T Big=T
 Integral buffers will be    131072 words long.
 Raffenetti 2 integral format.
 Two-electron integral symmetry is turned on.
 Leave Link  301 at Thu Aug 26 09:35:15 2021, MaxMem= 16106127360 cpu:              10.2 elap:               1.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l302.exe)
 NPDir=0 NMtPBC=     1 NCelOv=     1 NCel=       1 NClECP=     1 NCelD=      1
         NCelK=      1 NCelE2=     1 NClLst=     1 CellRange=     0.0.
 One-electron integrals computed using PRISM.
 One-electron integral symmetry used in STVInt
 NBasis=  1093 RedAO= T EigKep=  1.24D-06  NBF=  1093
 NBsUse=  1089 1.00D-06 EigRej=  8.73D-07 NBFU=  1089
 Precomputing XC quadrature grid using
 IXCGrd= 4 IRadAn=           5 IRanWt=          -1 IRanGd=           0 AccXCQ= 1.00D-11.
 Generated NRdTot=       0 NPtTot=           0 NUsed=           0 NTot=          32
 NSgBfM=  1163  1163  1163  1163  1163 MxSgAt=    63 MxSgA2=    63.
 Leave Link  302 at Thu Aug 26 09:35:19 2021, MaxMem= 16106127360 cpu:              29.3 elap:               3.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l303.exe)
 DipDrv:  MaxL=2.
 Leave Link  303 at Thu Aug 26 09:35:21 2021, MaxMem= 16106127360 cpu:               4.9 elap:               0.8
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l401.exe)
 Initial guess from the checkpoint file:  "34_Cutfc2_180_STD_M11-augccpVDZr.chk"
 SCF N**3 symmetry information disabled.
 B after Tr=    -0.000000    0.000000    0.000000
         Rot=    1.000000    0.000000    0.000000    0.000000 Ang=   0.00 deg.
 Guess basis will be translated and rotated to current coordinates.
 JPrj=2 DoOrth=T DoCkMO=T.
 Initial guess <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7526 S= 0.5013
 Leave Link  401 at Thu Aug 26 09:35:37 2021, MaxMem= 16106127360 cpu:             118.1 elap:              16.0
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l502.exe)
 Integral symmetry usage will be decided dynamically.
 UHF open shell SCF:
 Using DIIS extrapolation, IDIIS=  1040.
 NGot= 16106127360 LenX= 16103364801 LenY= 16101992389
 Requested convergence on RMS density matrix=1.00D-08 within 120 cycles.
 Requested convergence on MAX density matrix=1.00D-06.
 Requested convergence on             energy=1.00D-06.
 No special actions if energy rises.
 Fock matrices will be formed incrementally for  20 cycles.

 Cycle   1  Pass 1  IDiag  1:
 FoFJK:  IHMeth= 1 ICntrl=       0 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 FoFCou: FMM=T IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=T BraDBF=F KetDBF=F FulRan=T
         wScrn=  0.000000 ICntrl=       500 IOpCl=  0 I1Cent=           0 NGrid=           0
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FMM levels:  10  Number of levels for PrismC:   9
 E= -3471.19815730875    
 DIIS: error= 7.47D-03 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3471.19815730875     IErMin= 1 ErrMin= 7.47D-03
 ErrMax= 7.47D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.85D-01 BMatP= 2.85D-01
 IDIUse=3 WtCom= 9.25D-01 WtEn= 7.47D-02
 Coeff-Com:  0.100D+01
 Coeff-En:   0.100D+01
 Coeff:      0.100D+01
 Gap=     0.332 Goal=   None    Shift=    0.000
 Gap=     0.314 Goal=   None    Shift=    0.000
 GapD=    0.314 DampG=1.000 DampE=1.000 DampFc=1.0000 IDamp=-1.
 RMSDP=2.61D-02 MaxDP=4.54D+00              OVMax= 5.81D-02

 Cycle   2  Pass 1  IDiag  1:
 RMSU=  2.38D-02    CP:  1.34D+00
 E= -3471.25145073113     Delta-E=       -0.053293422379 Rises=F Damp=F
 DIIS: error= 2.01D-03 at cycle   2 NSaved=   2.
 NSaved= 2 IEnMin= 2 EnMin= -3471.25145073113     IErMin= 2 ErrMin= 2.01D-03
 ErrMax= 2.01D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.19D-02 BMatP= 2.85D-01
 IDIUse=3 WtCom= 9.80D-01 WtEn= 2.01D-02
 Coeff-Com:  0.125D+00 0.875D+00
 Coeff-En:   0.000D+00 0.100D+01
 Coeff:      0.122D+00 0.878D+00
 Gap=     0.316 Goal=   None    Shift=    0.000
 Gap=     0.313 Goal=   None    Shift=    0.000
 RMSDP=3.83D-03 MaxDP=9.90D-01 DE=-5.33D-02 OVMax= 1.33D-02

 Cycle   3  Pass 1  IDiag  1:
 RMSU=  1.55D-03    CP:  1.40D+00  1.12D+00
 E= -3471.25427455134     Delta-E=       -0.002823820203 Rises=F Damp=F
 DIIS: error= 2.60D-03 at cycle   3 NSaved=   3.
 NSaved= 3 IEnMin= 3 EnMin= -3471.25427455134     IErMin= 2 ErrMin= 2.01D-03
 ErrMax= 2.60D-03  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.07D-02 BMatP= 3.19D-02
 IDIUse=3 WtCom= 9.74D-01 WtEn= 2.60D-02
 Coeff-Com: -0.382D-01 0.499D+00 0.540D+00
 Coeff-En:   0.000D+00 0.282D+00 0.718D+00
 Coeff:     -0.372D-01 0.493D+00 0.544D+00
 Gap=     0.315 Goal=   None    Shift=    0.000
 Gap=     0.325 Goal=   None    Shift=    0.000
 RMSDP=1.11D-03 MaxDP=2.36D-01 DE=-2.82D-03 OVMax= 2.28D-02

 Cycle   4  Pass 1  IDiag  1:
 RMSU=  4.82D-04    CP:  1.42D+00  1.15D+00  1.13D+00
 E= -3471.25792477971     Delta-E=       -0.003650228373 Rises=F Damp=F
 DIIS: error= 9.79D-04 at cycle   4 NSaved=   4.
 NSaved= 4 IEnMin= 4 EnMin= -3471.25792477971     IErMin= 4 ErrMin= 9.79D-04
 ErrMax= 9.79D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.01D-03 BMatP= 3.07D-02
 IDIUse=3 WtCom= 9.90D-01 WtEn= 9.79D-03
 Coeff-Com: -0.297D-01 0.202D+00 0.313D+00 0.515D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:     -0.294D-01 0.200D+00 0.309D+00 0.520D+00
 Gap=     0.314 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=1.81D-04 MaxDP=3.40D-02 DE=-3.65D-03 OVMax= 4.54D-03

 Cycle   5  Pass 1  IDiag  1:
 RMSU=  1.09D-04    CP:  1.43D+00  1.15D+00  1.19D+00  8.93D-01
 E= -3471.25836307913     Delta-E=       -0.000438299419 Rises=F Damp=F
 DIIS: error= 7.12D-04 at cycle   5 NSaved=   5.
 NSaved= 5 IEnMin= 5 EnMin= -3471.25836307913     IErMin= 5 ErrMin= 7.12D-04
 ErrMax= 7.12D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.60D-04 BMatP= 3.01D-03
 IDIUse=3 WtCom= 9.93D-01 WtEn= 7.12D-03
 Coeff-Com:  0.100D-02-0.816D-01-0.422D-01 0.101D+00 0.102D+01
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.993D-03-0.810D-01-0.419D-01 0.100D+00 0.102D+01
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.311 Goal=   None    Shift=    0.000
 RMSDP=1.36D-04 MaxDP=1.22D-02 DE=-4.38D-04 OVMax= 1.22D-02

 Cycle   6  Pass 1  IDiag  1:
 RMSU=  8.87D-05    CP:  1.43D+00  1.15D+00  1.23D+00  9.69D-01  1.70D+00
 E= -3471.25860356230     Delta-E=       -0.000240483168 Rises=F Damp=F
 DIIS: error= 2.34D-04 at cycle   6 NSaved=   6.
 NSaved= 6 IEnMin= 6 EnMin= -3471.25860356230     IErMin= 6 ErrMin= 2.34D-04
 ErrMax= 2.34D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.55D-04 BMatP= 2.60D-04
 IDIUse=3 WtCom= 9.98D-01 WtEn= 2.34D-03
 Coeff-Com:  0.696D-02-0.769D-01-0.812D-01-0.124D+00 0.495D+00 0.780D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.100D+01
 Coeff:      0.694D-02-0.768D-01-0.810D-01-0.123D+00 0.493D+00 0.781D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=6.34D-05 MaxDP=6.20D-03 DE=-2.40D-04 OVMax= 6.38D-03

 Cycle   7  Pass 1  IDiag  1:
 RMSU=  4.38D-05    CP:  1.43D+00  1.15D+00  1.24D+00  9.67D-01  2.03D+00
                    CP:  1.18D+00
 E= -3471.25867537938     Delta-E=       -0.000071817078 Rises=F Damp=F
 DIIS: error= 1.46D-04 at cycle   7 NSaved=   7.
 NSaved= 7 IEnMin= 7 EnMin= -3471.25867537938     IErMin= 7 ErrMin= 1.46D-04
 ErrMax= 1.46D-04  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.98D-05 BMatP= 1.55D-04
 IDIUse=3 WtCom= 9.99D-01 WtEn= 1.46D-03
 Coeff-Com:  0.229D-02-0.532D-02-0.119D-01-0.107D+00-0.579D-01 0.296D+00
 Coeff-Com:  0.884D+00
 Coeff-En:   0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00 0.000D+00
 Coeff-En:   0.100D+01
 Coeff:      0.228D-02-0.531D-02-0.119D-01-0.106D+00-0.578D-01 0.295D+00
 Coeff:      0.884D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=3.91D-05 MaxDP=5.88D-03 DE=-7.18D-05 OVMax= 3.69D-03

 Cycle   8  Pass 1  IDiag  1:
 RMSU=  2.20D-05    CP:  1.43D+00  1.15D+00  1.23D+00  9.53D-01  2.15D+00
                    CP:  1.32D+00  1.25D+00
 E= -3471.25869374480     Delta-E=       -0.000018365427 Rises=F Damp=F
 DIIS: error= 4.31D-05 at cycle   8 NSaved=   8.
 NSaved= 8 IEnMin= 8 EnMin= -3471.25869374480     IErMin= 8 ErrMin= 4.31D-05
 ErrMax= 4.31D-05  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.19D-06 BMatP= 2.98D-05
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.628D-03 0.157D-01 0.172D-01-0.309D-01-0.138D+00-0.742D-01
 Coeff-Com:  0.391D+00 0.820D+00
 Coeff:     -0.628D-03 0.157D-01 0.172D-01-0.309D-01-0.138D+00-0.742D-01
 Coeff:      0.391D+00 0.820D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=1.93D-05 MaxDP=2.48D-03 DE=-1.84D-05 OVMax= 1.60D-03

 Cycle   9  Pass 1  IDiag  1:
 RMSU=  9.69D-06    CP:  1.43D+00  1.15D+00  1.23D+00  9.44D-01  2.21D+00
                    CP:  1.35D+00  1.40D+00  1.42D+00
 E= -3471.25869693686     Delta-E=       -0.000003192063 Rises=F Damp=F
 DIIS: error= 8.26D-06 at cycle   9 NSaved=   9.
 NSaved= 9 IEnMin= 9 EnMin= -3471.25869693686     IErMin= 9 ErrMin= 8.26D-06
 ErrMax= 8.26D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.03D-07 BMatP= 8.19D-06
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.330D-03 0.317D-02 0.465D-02 0.172D-02-0.143D-01-0.375D-01
 Coeff-Com: -0.151D-01 0.130D+00 0.928D+00
 Coeff:     -0.330D-03 0.317D-02 0.465D-02 0.172D-02-0.143D-01-0.375D-01
 Coeff:     -0.151D-01 0.130D+00 0.928D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=4.99D-06 MaxDP=5.38D-04 DE=-3.19D-06 OVMax= 2.10D-04

 Cycle  10  Pass 1  IDiag  1:
 RMSU=  3.50D-06    CP:  1.43D+00  1.15D+00  1.23D+00  9.43D-01  2.21D+00
                    CP:  1.35D+00  1.41D+00  1.50D+00  1.20D+00
 E= -3471.25869710474     Delta-E=       -0.000000167880 Rises=F Damp=F
 DIIS: error= 5.33D-06 at cycle  10 NSaved=  10.
 NSaved=10 IEnMin=10 EnMin= -3471.25869710474     IErMin=10 ErrMin= 5.33D-06
 ErrMax= 5.33D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.10D-08 BMatP= 3.03D-07
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.460D-04-0.772D-03-0.368D-03 0.431D-02 0.132D-01-0.473D-02
 Coeff-Com: -0.557D-01-0.628D-01 0.337D+00 0.770D+00
 Coeff:     -0.460D-04-0.772D-03-0.368D-03 0.431D-02 0.132D-01-0.473D-02
 Coeff:     -0.557D-01-0.628D-01 0.337D+00 0.770D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=2.22D-06 MaxDP=4.27D-04 DE=-1.68D-07 OVMax= 6.27D-05

 Cycle  11  Pass 1  IDiag  1:
 RMSU=  1.44D-06    CP:  1.43D+00  1.15D+00  1.23D+00  9.43D-01  2.20D+00
                    CP:  1.34D+00  1.42D+00  1.51D+00  1.30D+00  1.10D+00
 E= -3471.25869714912     Delta-E=       -0.000000044372 Rises=F Damp=F
 DIIS: error= 4.67D-06 at cycle  11 NSaved=  11.
 NSaved=11 IEnMin=11 EnMin= -3471.25869714912     IErMin=11 ErrMin= 4.67D-06
 ErrMax= 4.67D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.76D-08 BMatP= 8.10D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.637D-04-0.882D-03-0.114D-02 0.317D-03 0.633D-02 0.735D-02
 Coeff-Com: -0.820D-02-0.435D-01-0.138D+00 0.172D+00 0.101D+01
 Coeff:      0.637D-04-0.882D-03-0.114D-02 0.317D-03 0.633D-02 0.735D-02
 Coeff:     -0.820D-02-0.435D-01-0.138D+00 0.172D+00 0.101D+01
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=1.07D-06 MaxDP=1.14D-04 DE=-4.44D-08 OVMax= 7.08D-05

 Cycle  12  Pass 1  IDiag  1:
 RMSU=  7.68D-07    CP:  1.43D+00  1.15D+00  1.23D+00  9.43D-01  2.21D+00
                    CP:  1.34D+00  1.42D+00  1.51D+00  1.32D+00  1.23D+00
                    CP:  1.26D+00
 E= -3471.25869716906     Delta-E=       -0.000000019945 Rises=F Damp=F
 DIIS: error= 3.72D-06 at cycle  12 NSaved=  12.
 NSaved=12 IEnMin=12 EnMin= -3471.25869716906     IErMin=12 ErrMin= 3.72D-06
 ErrMax= 3.72D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 6.92D-09 BMatP= 1.76D-08
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.198D-04 0.439D-05-0.147D-03-0.649D-03-0.163D-02 0.237D-02
 Coeff-Com:  0.947D-02 0.531D-02-0.892D-01-0.128D+00 0.154D+00 0.105D+01
 Coeff:      0.198D-04 0.439D-05-0.147D-03-0.649D-03-0.163D-02 0.237D-02
 Coeff:      0.947D-02 0.531D-02-0.892D-01-0.128D+00 0.154D+00 0.105D+01
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=6.16D-07 MaxDP=4.84D-05 DE=-1.99D-08 OVMax= 6.47D-05

 Cycle  13  Pass 1  IDiag  1:
 RMSU=  4.61D-07    CP:  1.43D+00  1.15D+00  1.23D+00  9.43D-01  2.21D+00
                    CP:  1.34D+00  1.42D+00  1.51D+00  1.31D+00  1.28D+00
                    CP:  1.38D+00  1.34D+00
 E= -3471.25869717918     Delta-E=       -0.000000010119 Rises=F Damp=F
 DIIS: error= 3.03D-06 at cycle  13 NSaved=  13.
 NSaved=13 IEnMin=13 EnMin= -3471.25869717918     IErMin=13 ErrMin= 3.03D-06
 ErrMax= 3.03D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 3.86D-09 BMatP= 6.92D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.288D-04 0.500D-03 0.586D-03-0.352D-03-0.430D-02-0.322D-02
 Coeff-Com:  0.787D-02 0.267D-01 0.476D-01-0.142D+00-0.517D+00 0.349D+00
 Coeff-Com:  0.123D+01
 Coeff:     -0.288D-04 0.500D-03 0.586D-03-0.352D-03-0.430D-02-0.322D-02
 Coeff:      0.787D-02 0.267D-01 0.476D-01-0.142D+00-0.517D+00 0.349D+00
 Coeff:      0.123D+01
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=8.59D-07 MaxDP=8.89D-05 DE=-1.01D-08 OVMax= 8.44D-05

 Cycle  14  Pass 1  IDiag  1:
 RMSU=  4.28D-07    CP:  1.43D+00  1.15D+00  1.23D+00  9.44D-01  2.21D+00
                    CP:  1.34D+00  1.42D+00  1.51D+00  1.30D+00  1.28D+00
                    CP:  1.49D+00  1.88D+00  2.12D+00
 E= -3471.25869718641     Delta-E=       -0.000000007225 Rises=F Damp=F
 DIIS: error= 2.16D-06 at cycle  14 NSaved=  14.
 NSaved=14 IEnMin=14 EnMin= -3471.25869718641     IErMin=14 ErrMin= 2.16D-06
 ErrMax= 2.16D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.66D-09 BMatP= 3.86D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.151D-04 0.130D-03 0.218D-03 0.133D-03-0.574D-03-0.190D-02
 Coeff-Com: -0.140D-02 0.545D-02 0.473D-01 0.891D-02-0.211D+00-0.300D+00
 Coeff-Com:  0.353D+00 0.110D+01
 Coeff:     -0.151D-04 0.130D-03 0.218D-03 0.133D-03-0.574D-03-0.190D-02
 Coeff:     -0.140D-02 0.545D-02 0.473D-01 0.891D-02-0.211D+00-0.300D+00
 Coeff:      0.353D+00 0.110D+01
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=8.11D-07 MaxDP=7.45D-05 DE=-7.23D-09 OVMax= 6.10D-05

 Cycle  15  Pass 1  IDiag  1:
 RMSU=  3.49D-07    CP:  1.43D+00  1.15D+00  1.23D+00  9.44D-01  2.21D+00
                    CP:  1.34D+00  1.42D+00  1.51D+00  1.28D+00  1.27D+00
                    CP:  1.54D+00  2.28D+00  3.00D+00  2.01D+00
 E= -3471.25869718971     Delta-E=       -0.000000003301 Rises=F Damp=F
 DIIS: error= 1.40D-06 at cycle  15 NSaved=  15.
 NSaved=15 IEnMin=15 EnMin= -3471.25869718971     IErMin=15 ErrMin= 1.40D-06
 ErrMax= 1.40D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.21D-10 BMatP= 1.66D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.139D-04-0.290D-03-0.309D-03 0.311D-03 0.277D-02 0.136D-02
 Coeff-Com: -0.596D-02-0.160D-01-0.131D-01 0.998D-01 0.267D+00-0.334D+00
 Coeff-Com: -0.701D+00 0.413D+00 0.129D+01
 Coeff:      0.139D-04-0.290D-03-0.309D-03 0.311D-03 0.277D-02 0.136D-02
 Coeff:     -0.596D-02-0.160D-01-0.131D-01 0.998D-01 0.267D+00-0.334D+00
 Coeff:     -0.701D+00 0.413D+00 0.129D+01
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=1.28D-06 MaxDP=1.14D-04 DE=-3.30D-09 OVMax= 6.06D-05

 Cycle  16  Pass 1  IDiag  1:
 RMSU=  7.69D-07    CP:  1.43D+00  1.15D+00  1.23D+00  9.44D-01  2.20D+00
                    CP:  1.34D+00  1.41D+00  1.51D+00  1.27D+00  1.25D+00
                    CP:  1.63D+00  2.66D+00  3.00D+00  3.00D+00  2.91D+00
 E= -3471.25869719008     Delta-E=       -0.000000000371 Rises=F Damp=F
 DIIS: error= 6.84D-07 at cycle  16 NSaved=  16.
 NSaved=16 IEnMin=16 EnMin= -3471.25869719008     IErMin=16 ErrMin= 6.84D-07
 ErrMax= 6.84D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.15D-10 BMatP= 8.21D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.313D-05 0.442D-05-0.282D-04-0.131D-03-0.271D-03 0.544D-03
 Coeff-Com:  0.167D-02 0.936D-03-0.160D-01-0.210D-01 0.402D-01 0.184D+00
 Coeff-Com: -0.364D-01-0.529D+00-0.191D+00 0.157D+01
 Coeff:      0.313D-05 0.442D-05-0.282D-04-0.131D-03-0.271D-03 0.544D-03
 Coeff:      0.167D-02 0.936D-03-0.160D-01-0.210D-01 0.402D-01 0.184D+00
 Coeff:     -0.364D-01-0.529D+00-0.191D+00 0.157D+01
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=1.77D-06 MaxDP=1.35D-04 DE=-3.71D-10 OVMax= 3.73D-05

 Cycle  17  Pass 1  IDiag  1:
 RMSU=  1.11D-06    CP:  1.43D+00  1.15D+00  1.23D+00  9.44D-01  2.20D+00
                    CP:  1.35D+00  1.41D+00  1.50D+00  1.24D+00  1.23D+00
                    CP:  1.72D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  2.53D+00
 E= -3471.25869718899     Delta-E=        0.000000001088 Rises=F Damp=F
 DIIS: error= 2.15D-07 at cycle  17 NSaved=  17.
 NSaved=17 IEnMin=16 EnMin= -3471.25869719008     IErMin=17 ErrMin= 2.15D-07
 ErrMax= 2.15D-07  0.00D+00 EMaxC= 1.00D-01 BMatC= 4.88D-11 BMatP= 2.15D-10
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.305D-05 0.838D-04 0.805D-04-0.134D-03-0.849D-03-0.212D-03
 Coeff-Com:  0.220D-02 0.465D-02-0.111D-02-0.359D-01-0.676D-01 0.149D+00
 Coeff-Com:  0.195D+00-0.262D+00-0.414D+00 0.417D+00 0.101D+01
 Coeff:     -0.305D-05 0.838D-04 0.805D-04-0.134D-03-0.849D-03-0.212D-03
 Coeff:      0.220D-02 0.465D-02-0.111D-02-0.359D-01-0.676D-01 0.149D+00
 Coeff:      0.195D+00-0.262D+00-0.414D+00 0.417D+00 0.101D+01
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=1.18D-06 MaxDP=1.14D-04 DE= 1.09D-09 OVMax= 1.26D-05

 Cycle  18  Pass 1  IDiag  1:
 RMSU=  8.04D-07    CP:  1.43D+00  1.15D+00  1.23D+00  9.44D-01  2.20D+00
                    CP:  1.35D+00  1.41D+00  1.50D+00  1.23D+00  1.22D+00
                    CP:  1.74D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  2.97D+00  1.65D+00
 E= -3471.25869718892     Delta-E=        0.000000000071 Rises=F Damp=F
 DIIS: error= 7.02D-08 at cycle  18 NSaved=  18.
 NSaved=18 IEnMin=16 EnMin= -3471.25869719008     IErMin=18 ErrMin= 7.02D-08
 ErrMax= 7.02D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 8.33D-12 BMatP= 4.88D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.126D-05 0.216D-04 0.262D-04-0.263D-04-0.194D-03-0.132D-03
 Coeff-Com:  0.362D-03 0.109D-02 0.222D-02-0.605D-02-0.226D-01 0.123D-01
 Coeff-Com:  0.561D-01 0.476D-02-0.861D-01-0.117D+00 0.269D+00 0.887D+00
 Coeff:     -0.126D-05 0.216D-04 0.262D-04-0.263D-04-0.194D-03-0.132D-03
 Coeff:      0.362D-03 0.109D-02 0.222D-02-0.605D-02-0.226D-01 0.123D-01
 Coeff:      0.561D-01 0.476D-02-0.861D-01-0.117D+00 0.269D+00 0.887D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=5.54D-07 MaxDP=5.04D-05 DE= 7.09D-11 OVMax= 2.89D-06

 Cycle  19  Pass 1  IDiag  1:
 RMSU=  2.71D-07    CP:  1.43D+00  1.15D+00  1.23D+00  9.44D-01  2.20D+00
                    CP:  1.35D+00  1.41D+00  1.50D+00  1.23D+00  1.23D+00
                    CP:  1.73D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  1.78D+00  1.54D+00
 E= -3471.25869718971     Delta-E=       -0.000000000793 Rises=F Damp=F
 DIIS: error= 5.16D-08 at cycle  19 NSaved=  19.
 NSaved=19 IEnMin=16 EnMin= -3471.25869719008     IErMin=19 ErrMin= 5.16D-08
 ErrMax= 5.16D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 2.50D-12 BMatP= 8.33D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.113D-06-0.645D-05-0.456D-05 0.130D-04 0.713D-04-0.211D-05
 Coeff-Com: -0.232D-03-0.408D-03 0.740D-03 0.367D-02 0.413D-02-0.193D-01
 Coeff-Com: -0.137D-01 0.405D-01 0.387D-01-0.929D-01-0.104D+00 0.277D+00
 Coeff-Com:  0.866D+00
 Coeff:      0.113D-06-0.645D-05-0.456D-05 0.130D-04 0.713D-04-0.211D-05
 Coeff:     -0.232D-03-0.408D-03 0.740D-03 0.367D-02 0.413D-02-0.193D-01
 Coeff:     -0.137D-01 0.405D-01 0.387D-01-0.929D-01-0.104D+00 0.277D+00
 Coeff:      0.866D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=4.27D-07 MaxDP=6.22D-05 DE=-7.93D-10 OVMax= 7.80D-07

 Cycle  20  Pass 1  IDiag  1:
 RMSU=  2.84D-07    CP:  1.43D+00  1.15D+00  1.23D+00  9.45D-01  2.20D+00
                    CP:  1.35D+00  1.41D+00  1.50D+00  1.23D+00  1.22D+00
                    CP:  1.73D+00  3.00D+00  3.00D+00  3.00D+00  3.00D+00
                    CP:  3.00D+00  1.80D+00  1.70D+00  1.92D+00
 E= -3471.25869718864     Delta-E=        0.000000001077 Rises=F Damp=F
 DIIS: error= 4.75D-08 at cycle  20 NSaved=  20.
 NSaved=20 IEnMin=16 EnMin= -3471.25869719008     IErMin=20 ErrMin= 4.75D-08
 ErrMax= 4.75D-08  0.00D+00 EMaxC= 1.00D-01 BMatC= 1.71D-12 BMatP= 2.50D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.657D-07-0.361D-05-0.266D-05 0.806D-05 0.401D-04 0.658D-06
 Coeff-Com: -0.130D-03-0.231D-03 0.388D-03 0.202D-02 0.234D-02-0.108D-01
 Coeff-Com: -0.783D-02 0.230D-01 0.223D-01-0.508D-01-0.646D-01 0.128D+00
 Coeff-Com:  0.478D+00 0.478D+00
 Coeff:      0.657D-07-0.361D-05-0.266D-05 0.806D-05 0.401D-04 0.658D-06
 Coeff:     -0.130D-03-0.231D-03 0.388D-03 0.202D-02 0.234D-02-0.108D-01
 Coeff:     -0.783D-02 0.230D-01 0.223D-01-0.508D-01-0.646D-01 0.128D+00
 Coeff:      0.478D+00 0.478D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=2.81D-07 MaxDP=3.30D-05 DE= 1.08D-09 OVMax= 1.95D-07

 Cycle  21  Pass 1  IDiag  1:
 Restarting incremental Fock formation.
 E= -3471.25869728797     Delta-E=       -0.000000099339 Rises=F Damp=F
 DIIS: error= 2.25D-06 at cycle  21 NSaved=  20.
 NSaved=20 IEnMin=20 EnMin= -3471.25869728797     IErMin=19 ErrMin= 4.75D-08
 ErrMax= 2.25D-06  0.00D+00 EMaxC= 1.00D-01 BMatC= 5.79D-09 BMatP= 1.71D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.301D-05-0.193D-05 0.803D-05 0.359D-04-0.334D-05-0.124D-03
 Coeff-Com: -0.208D-03 0.435D-03 0.191D-02 0.195D-02-0.106D-01-0.704D-02
 Coeff-Com:  0.228D-01 0.213D-01-0.506D-01-0.629D-01 0.129D+00 0.476D+00
 Coeff-Com:  0.478D+00-0.486D-04
 Coeff:     -0.301D-05-0.193D-05 0.803D-05 0.359D-04-0.334D-05-0.124D-03
 Coeff:     -0.208D-03 0.435D-03 0.191D-02 0.195D-02-0.106D-01-0.704D-02
 Coeff:      0.228D-01 0.213D-01-0.506D-01-0.629D-01 0.129D+00 0.476D+00
 Coeff:      0.478D+00-0.486D-04
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=2.26D-09 MaxDP=1.62D-07 DE=-9.93D-08 OVMax= 9.38D-10

 Density matrix is not changing but DIIS error= 2.25D-06 CofLast= 4.78D-01.
 Cycle  22  Pass 1  IDiag  1:
 E= -3471.25869728730     Delta-E=        0.000000000677 Rises=F Damp=F
 DIIS: error= 2.25D-06 at cycle   1 NSaved=   1.
 NSaved= 1 IEnMin= 1 EnMin= -3471.25869728730     IErMin= 1 ErrMin= 2.25D-06
 ErrMax= 2.25D-06  0.00D+00 EMaxC= 1.00D+00 BMatC= 5.79D-09 BMatP= 5.79D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.100D+01
 Coeff:      0.100D+01
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=4.32D-05 MaxDP=3.25D-03 DE= 6.77D-10 OVMax= 5.89D-06

 Cycle  23  Pass 1  IDiag  1:
 RMSU=  4.30D-05    CP:  1.00D+00
 E= -3471.25869728543     Delta-E=        0.000000001872 Rises=F Damp=F
 DIIS: error= 1.22D-07 at cycle  23 NSaved=   2.
 NSaved= 2 IEnMin= 1 EnMin= -3471.25869728730     IErMin= 2 ErrMin= 1.22D-07
 ErrMax= 1.22D-07  0.00D+00 EMaxC= 1.00D+00 BMatC= 3.72D-11 BMatP= 5.79D-09
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.295D-01 0.103D+01
 Coeff:     -0.295D-01 0.103D+01
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=9.20D-06 MaxDP=6.85D-04 DE= 1.87D-09 OVMax= 7.26D-07

 Cycle  24  Pass 1  IDiag  1:
 RMSU=  7.78D-06    CP:  1.00D+00  1.07D+00
 E= -3471.25869728478     Delta-E=        0.000000000642 Rises=F Damp=F
 DIIS: error= 3.51D-08 at cycle  24 NSaved=   3.
 NSaved= 3 IEnMin= 1 EnMin= -3471.25869728730     IErMin= 3 ErrMin= 3.51D-08
 ErrMax= 3.51D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.98D-12 BMatP= 3.72D-11
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com: -0.610D-03-0.630D-01 0.106D+01
 Coeff:     -0.610D-03-0.630D-01 0.106D+01
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=1.18D-06 MaxDP=9.05D-05 DE= 6.42D-10 OVMax= 3.28D-07

 Cycle  25  Pass 1  IDiag  1:
 RMSU=  7.09D-07    CP:  1.00D+00  1.08D+00  1.10D+00
 E= -3471.25869728398     Delta-E=        0.000000000800 Rises=F Damp=F
 DIIS: error= 3.19D-08 at cycle  25 NSaved=   4.
 NSaved= 4 IEnMin= 1 EnMin= -3471.25869728730     IErMin= 4 ErrMin= 3.19D-08
 ErrMax= 3.19D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 9.09D-13 BMatP= 1.98D-12
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.245D-04-0.316D-01 0.251D+00 0.780D+00
 Coeff:      0.245D-04-0.316D-01 0.251D+00 0.780D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=5.05D-07 MaxDP=4.85D-05 DE= 8.00D-10 OVMax= 2.14D-07

 Cycle  26  Pass 1  IDiag  1:
 RMSU=  4.24D-07    CP:  1.00D+00  1.08D+00  1.13D+00  1.15D+00
 E= -3471.25869728283     Delta-E=        0.000000001159 Rises=F Damp=F
 DIIS: error= 2.77D-08 at cycle  26 NSaved=   5.
 NSaved= 5 IEnMin= 1 EnMin= -3471.25869728730     IErMin= 5 ErrMin= 2.77D-08
 ErrMax= 2.77D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 9.69D-13 BMatP= 9.09D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.391D-03-0.176D-01 0.339D-01 0.539D+00 0.444D+00
 Coeff:      0.391D-03-0.176D-01 0.339D-01 0.539D+00 0.444D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=2.45D-07 MaxDP=2.81D-05 DE= 1.16D-09 OVMax= 1.39D-07

 Cycle  27  Pass 1  IDiag  1:
 RMSU=  1.21D-07    CP:  1.00D+00  1.08D+00  1.14D+00  1.26D+00  1.36D+00
 E= -3471.25869728367     Delta-E=       -0.000000000842 Rises=F Damp=F
 DIIS: error= 3.26D-08 at cycle  27 NSaved=   6.
 NSaved= 6 IEnMin= 1 EnMin= -3471.25869728730     IErMin= 5 ErrMin= 2.77D-08
 ErrMax= 3.26D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.31D-12 BMatP= 9.09D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.358D-03-0.190D-01 0.326D-01 0.584D+00 0.511D+00-0.109D+00
 Coeff:      0.358D-03-0.190D-01 0.326D-01 0.584D+00 0.511D+00-0.109D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=5.71D-08 MaxDP=4.86D-06 DE=-8.42D-10 OVMax= 2.05D-08

 Cycle  28  Pass 1  IDiag  1:
 RMSU=  4.08D-08    CP:  1.00D+00  1.08D+00  1.14D+00  1.23D+00  1.31D+00
                    CP:  8.34D-01
 E= -3471.25869728273     Delta-E=        0.000000000942 Rises=F Damp=F
 DIIS: error= 2.69D-08 at cycle  28 NSaved=   7.
 NSaved= 7 IEnMin= 1 EnMin= -3471.25869728730     IErMin= 7 ErrMin= 2.69D-08
 ErrMax= 2.69D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.33D-12 BMatP= 9.09D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.372D-03-0.183D-01 0.138D-01 0.520D+00 0.575D+00-0.377D+00
 Coeff-Com:  0.286D+00
 Coeff:      0.372D-03-0.183D-01 0.138D-01 0.520D+00 0.575D+00-0.377D+00
 Coeff:      0.286D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=5.26D-08 MaxDP=4.57D-06 DE= 9.42D-10 OVMax= 1.84D-08

 Cycle  29  Pass 1  IDiag  1:
 RMSU=  4.74D-08    CP:  1.00D+00  1.08D+00  1.14D+00  1.24D+00  1.33D+00
                    CP:  7.37D-01  1.14D+00
 E= -3471.25869728256     Delta-E=        0.000000000164 Rises=F Damp=F
 DIIS: error= 2.68D-08 at cycle  29 NSaved=   8.
 NSaved= 8 IEnMin= 1 EnMin= -3471.25869728730     IErMin= 8 ErrMin= 2.68D-08
 ErrMax= 2.68D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.09D-12 BMatP= 9.09D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.354D-03-0.166D-01 0.430D-02 0.493D+00 0.512D+00-0.286D+00
 Coeff-Com:  0.174D+00 0.119D+00
 Coeff:      0.354D-03-0.166D-01 0.430D-02 0.493D+00 0.512D+00-0.286D+00
 Coeff:      0.174D+00 0.119D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=5.94D-08 MaxDP=7.21D-06 DE= 1.64D-10 OVMax= 2.24D-08

 Cycle  30  Pass 1  IDiag  1:
 RMSU=  3.54D-08    CP:  1.00D+00  1.08D+00  1.14D+00  1.27D+00  1.40D+00
                    CP:  9.13D-01  8.70D-01  1.21D+00
 E= -3471.25869728346     Delta-E=       -0.000000000899 Rises=F Damp=F
 DIIS: error= 2.64D-08 at cycle  30 NSaved=   9.
 NSaved= 9 IEnMin= 1 EnMin= -3471.25869728730     IErMin= 9 ErrMin= 2.64D-08
 ErrMax= 2.64D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.54D-12 BMatP= 9.09D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.250D-03-0.158D-01-0.456D-03 0.487D+00 0.518D+00-0.394D+00
 Coeff-Com:  0.269D+00 0.363D+00-0.228D+00
 Coeff:      0.250D-03-0.158D-01-0.456D-03 0.487D+00 0.518D+00-0.394D+00
 Coeff:      0.269D+00 0.363D+00-0.228D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=3.81D-08 MaxDP=3.57D-06 DE=-8.99D-10 OVMax= 4.92D-09

 Cycle  31  Pass 1  IDiag  1:
 RMSU=  3.49D-08    CP:  1.00D+00  1.08D+00  1.14D+00  1.26D+00  1.37D+00
                    CP:  8.59D-01  9.97D-01  1.21D+00  8.49D-01
 E= -3471.25869728371     Delta-E=       -0.000000000246 Rises=F Damp=F
 DIIS: error= 2.64D-08 at cycle  31 NSaved=  10.
 NSaved=10 IEnMin= 1 EnMin= -3471.25869728730     IErMin= 9 ErrMin= 2.64D-08
 ErrMax= 2.64D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.48D-12 BMatP= 9.09D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.230D-03-0.159D-01 0.118D-02 0.487D+00 0.522D+00-0.388D+00
 Coeff-Com:  0.277D+00 0.342D+00-0.179D+00-0.459D-01
 Coeff:      0.230D-03-0.159D-01 0.118D-02 0.487D+00 0.522D+00-0.388D+00
 Coeff:      0.277D+00 0.342D+00-0.179D+00-0.459D-01
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=9.62D-09 MaxDP=1.57D-06 DE=-2.46D-10 OVMax= 1.19D-09

 Cycle  32  Pass 1  IDiag  1:
 RMSU=  7.94D-09    CP:  1.00D+00  1.08D+00  1.14D+00  1.26D+00  1.37D+00
                    CP:  8.41D-01  9.72D-01  1.16D+00  8.09D-01  9.24D-01
 E= -3471.25869728352     Delta-E=        0.000000000189 Rises=F Damp=F
 DIIS: error= 3.23D-08 at cycle  32 NSaved=  11.
 NSaved=11 IEnMin= 1 EnMin= -3471.25869728730     IErMin= 9 ErrMin= 2.64D-08
 ErrMax= 3.23D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.83D-12 BMatP= 9.09D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.255D-03-0.161D-01 0.740D-03 0.485D+00 0.526D+00-0.386D+00
 Coeff-Com:  0.271D+00 0.385D+00-0.216D+00-0.172D+00 0.121D+00
 Coeff:      0.255D-03-0.161D-01 0.740D-03 0.485D+00 0.526D+00-0.386D+00
 Coeff:      0.271D+00 0.385D+00-0.216D+00-0.172D+00 0.121D+00
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=1.56D-08 MaxDP=1.70D-06 DE= 1.89D-10 OVMax= 2.15D-09

 Cycle  33  Pass 1  IDiag  1:
 RMSU=  1.41D-08    CP:  1.00D+00  1.08D+00  1.14D+00  1.25D+00  1.37D+00
                    CP:  8.30D-01  9.30D-01  1.09D+00  7.88D-01  9.74D-01
                    CP:  1.31D+00
 E= -3471.25869728322     Delta-E=        0.000000000300 Rises=F Damp=F
 DIIS: error= 2.64D-08 at cycle  33 NSaved=  12.
 NSaved=12 IEnMin= 1 EnMin= -3471.25869728730     IErMin= 9 ErrMin= 2.64D-08
 ErrMax= 2.64D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.87D-12 BMatP= 9.09D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.210D-03-0.160D-01-0.876D-04 0.485D+00 0.529D+00-0.374D+00
 Coeff-Com:  0.269D+00 0.368D+00-0.160D+00-0.214D+00 0.197D+00-0.856D-01
 Coeff:      0.210D-03-0.160D-01-0.876D-04 0.485D+00 0.529D+00-0.374D+00
 Coeff:      0.269D+00 0.368D+00-0.160D+00-0.214D+00 0.197D+00-0.856D-01
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=1.46D-08 MaxDP=1.47D-06 DE= 3.00D-10 OVMax= 1.91D-09

 Cycle  34  Pass 1  IDiag  1:
 RMSU=  1.38D-08    CP:  1.00D+00  1.08D+00  1.14D+00  1.26D+00  1.37D+00
                    CP:  8.44D-01  8.79D-01  1.08D+00  7.93D-01  9.24D-01
                    CP:  1.29D+00  8.46D-01
 E= -3471.25869728358     Delta-E=       -0.000000000364 Rises=F Damp=F
 DIIS: error= 2.76D-08 at cycle  34 NSaved=  13.
 NSaved=13 IEnMin= 1 EnMin= -3471.25869728730     IErMin= 9 ErrMin= 2.64D-08
 ErrMax= 2.76D-08  0.00D+00 EMaxC= 1.00D+00 BMatC= 1.91D-12 BMatP= 9.09D-13
 IDIUse=1 WtCom= 1.00D+00 WtEn= 0.00D+00
 Coeff-Com:  0.214D-03-0.160D-01-0.752D-04 0.485D+00 0.530D+00-0.374D+00
 Coeff-Com:  0.269D+00 0.370D+00-0.162D+00-0.221D+00 0.204D+00-0.964D-01
 Coeff-Com:  0.110D-01
 Coeff:      0.214D-03-0.160D-01-0.752D-04 0.485D+00 0.530D+00-0.374D+00
 Coeff:      0.269D+00 0.370D+00-0.162D+00-0.221D+00 0.204D+00-0.964D-01
 Coeff:      0.110D-01
 Gap=     0.313 Goal=   None    Shift=    0.000
 Gap=     0.312 Goal=   None    Shift=    0.000
 RMSDP=1.66D-09 MaxDP=1.52D-07 DE=-3.64D-10 OVMax= 2.40D-10

 SCF Done:  E(UM11) =  -3471.25869728     A.U. after   34 cycles
            NFock= 34  Conv=0.17D-08     -V/T= 2.0042
 <Sx>= 0.0000 <Sy>= 0.0000 <Sz>= 0.5000 <S**2>= 0.7521 S= 0.5010
 <L.S>= 0.000000000000E+00
 KE= 3.456609795268D+03 PE=-1.806888044106D+04 EE= 6.213537453872D+03
 Annihilation of the first spin contaminant:
 S**2 before annihilation     0.7521,   after     0.7500
 Leave Link  502 at Thu Aug 26 17:28:10 2021, MaxMem= 16106127360 cpu:          224947.0 elap:           28351.5
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l801.exe)
 DoSCS=F DFT=T ScalE2(SS,OS)=  1.000000  1.000000
 Range of M.O.s used for correlation:     1  1089
 NBasis=  1093 NAE=   144 NBE=   143 NFC=     0 NFV=     0
 NROrb=   1089 NOA=   144 NOB=   143 NVA=   945 NVB=   946

 **** Warning!!: The largest alpha MO coefficient is  0.86580983D+02


 **** Warning!!: The largest beta MO coefficient is  0.85183408D+02

 Leave Link  801 at Thu Aug 26 17:28:12 2021, MaxMem= 16106127360 cpu:               2.8 elap:               0.6
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l1002.exe)
 Minotr:  UHF open shell wavefunction.
          Direct CPHF calculation.
          Differentiating once with respect to electric field.
                with respect to dipole field.
                with respect to quadrupole field.
          Differentiating once with respect to magnetic field using GIAOs.
          Electric field/nuclear overlap derivatives assumed to be zero.
          Requested convergence is 1.0D-08 RMS, and 1.0D-07 maximum.
          Secondary convergence is 1.0D-12 RMS, and 1.0D-12 maximum.
          NewPWx=F KeepS1=T KeepF1=T KeepIn=T MapXYZ=F SortEE=F KeepMc=T.
        19888 words used for storage of precomputed grid.
 Two-electron integral symmetry used by symmetrizing perturbed Fock matrices.
          MDV=   16106127360 using IRadAn=       1.
          Solving linear equations simultaneously, MaxMat=      72.
          Doing perturbations at frequencies    0.085645
 FoFCou: FMM=F IPFlag=           0 FMFlag=      100000 FMFlg1=        2001
         NFxFlg=           0 DoJE=F BraDBF=F KetDBF=T FulRan=T
         wScrn=  0.000000 ICntrl=      6100 IOpCl=  0 I1Cent=           7 NGrid=          63
         NMat0=    1 NMatS0=      1 NMatT0=    0 NMatD0=    1 NMtDS0=    0 NMtDT0=    0
 Symmetry not used in FoFCou.
 FoFJK:  IHMeth= 1 ICntrl=    6127 DoSepK=T KAlg= 0 I1Cent=           0 FoldK=F
 IRaf=         1 NMat=       1 IRICut=       1 DoRegI=T DoRafI=F ISym2E= 0 IDoP0=0 IntGTp=1.
 CalDSu exits because no D1Ps are significant.
          There are    12 degrees of freedom in the 1st order CPHF.  IDoFFX=0 NUNeed=    12.
     11 vectors produced by pass  0 Test12= 4.52D-12 8.33D-09 XBig12= 1.00D+00 2.19D-01.
 AX will form    11 AO Fock derivatives at one time.
     11 vectors produced by pass  1 Test12= 4.52D-12 8.33D-09 XBig12= 1.87D-01 1.31D-01.
     11 vectors produced by pass  2 Test12= 4.52D-12 8.33D-09 XBig12= 7.73D-02 7.55D-02.
     11 vectors produced by pass  3 Test12= 4.52D-12 8.33D-09 XBig12= 2.33D-02 4.94D-02.
     11 vectors produced by pass  4 Test12= 4.52D-12 8.33D-09 XBig12= 8.20D-03 2.11D-02.
     11 vectors produced by pass  5 Test12= 4.52D-12 8.33D-09 XBig12= 1.17D-03 6.38D-03.
     11 vectors produced by pass  6 Test12= 4.52D-12 8.33D-09 XBig12= 2.88D-04 3.39D-03.
     11 vectors produced by pass  7 Test12= 4.52D-12 8.33D-09 XBig12= 6.21D-05 2.43D-03.
     11 vectors produced by pass  8 Test12= 4.52D-12 8.33D-09 XBig12= 9.98D-06 8.83D-04.
     11 vectors produced by pass  9 Test12= 4.52D-12 8.33D-09 XBig12= 1.87D-06 2.66D-04.
     11 vectors produced by pass 10 Test12= 4.52D-12 8.33D-09 XBig12= 1.48D-07 6.40D-05.
     11 vectors produced by pass 11 Test12= 4.52D-12 8.33D-09 XBig12= 1.43D-08 2.56D-05.
     11 vectors produced by pass 12 Test12= 4.52D-12 8.33D-09 XBig12= 1.63D-09 5.20D-06.
     11 vectors produced by pass 13 Test12= 4.52D-12 8.33D-09 XBig12= 1.73D-10 1.66D-06.
      9 vectors produced by pass 14 Test12= 4.52D-12 8.33D-09 XBig12= 1.41D-11 4.60D-07.
      8 vectors produced by pass 15 Test12= 4.52D-12 8.33D-09 XBig12= 1.07D-12 1.73D-07.
      4 vectors produced by pass 16 Test12= 4.52D-12 8.33D-09 XBig12= 1.84D-13 5.23D-08.
      3 vectors produced by pass 17 Test12= 4.52D-12 8.33D-09 XBig12= 2.55D-13 1.68D-08.
 InvSVY:  IOpt=1 It=  1 EMax= 2.84D-13
 Solved reduced A of dimension   178 with    12 vectors.
 FullF1:  Do perturbations      1 to      12.
 SCF Polarizability for W=    0.085645:
                1             2             3 
      1  0.403253D+03
      2  0.352500D+02  0.342698D+03
      3  0.636003D-02 -0.280380D-02  0.254991D+03
 Isotropic polarizability for W=    0.085645      333.65 Bohr**3.
 Dipole-quadrupole polarizability for W=    0.085645:
                 1             2             3 
      1   0.210180D+00  0.361734D-01 -0.811487D-01
      2  -0.142204D+00  0.774678D-02 -0.112315D+03
      3  -0.679764D-01 -0.439202D-01  0.112397D+03
      4  -0.328264D-01 -0.590864D-01  0.892476D+02
      5   0.143328D+03  0.902531D+02  0.342835D-01
      6   0.133136D+02  0.507098D+02 -0.117463D+00
 Dipole-magnetic dipole polarizability for W=    0.085645:
                 1             2             3 
      1  -0.123502D+02  0.227900D+02  0.397972D-01
      2   0.698216D+01  0.468508D+02  0.253618D-01
      3   0.238719D-01  0.411281D-02 -0.509473D+02
 DQ contribution to OR G for W=    0.085645:
                 1             2             3 
      1   0.100547D+01  0.163025D+03  0.735426D-01
      2  -0.143409D+03  0.759341D+02  0.102260D+00
      3  -0.689998D-01 -0.831174D-01 -0.769395D+02
 Optical Rotation G' tensor for W=    0.085645:
                 1             2             3 
      1  -0.179692D+01 -0.499105D+01 -0.153494D-01
      2  -0.499105D+01 -0.126653D+02 -0.497584D-02
      3  -0.153494D-01 -0.497584D-02 -0.198460D+01
 OR G Eigenvalues:   -14.6095    -1.9847     0.1474  Iso=     5.4823
 Eigenvectors:
   (1)   0.362976   0.931798   0.000809
   (2)   0.005168  -0.002881   0.999982
   (3)   0.931784  -0.362966  -0.005861
 w=    0.085645 a.u., Optical Rotation Beta=      5.4823 au.
 Molar Mass =    558.0192 grams/mole, [Alpha] ( 5320.0 A) =      465.94 deg.
 PxScal for PaGxPb-FJK:  IOpCl= 1 ISclPx=1 IMOff=     1 NMtTot=    25 NTT=  597871 ScalPx= 1.32D+03
 PxSclF for G(T1ab):  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  597871 IRwP= 19994 19993 IPTmp= 19962 19961 ScalPx= 1.31D+04
 FullF1:  Do perturbations      1 to      30.
          There are    36 degrees of freedom in the 2nd order CPHF.
     30 vectors produced by pass  0 Test12= 7.54D-13 2.78D-09 XBig12= 1.00D+00 4.74D-01.
     30 vectors produced by pass  1 Test12= 7.54D-13 2.78D-09 XBig12= 7.99D-01 3.78D-01.
     30 vectors produced by pass  2 Test12= 7.54D-13 2.78D-09 XBig12= 9.27D-02 4.97D-02.
     30 vectors produced by pass  3 Test12= 7.54D-13 2.78D-09 XBig12= 2.46D-03 6.41D-03.
     30 vectors produced by pass  4 Test12= 7.54D-13 2.78D-09 XBig12= 4.09D-04 2.99D-03.
     30 vectors produced by pass  5 Test12= 7.54D-13 2.78D-09 XBig12= 2.33D-05 5.59D-04.
     30 vectors produced by pass  6 Test12= 7.54D-13 2.78D-09 XBig12= 1.64D-06 1.37D-04.
     30 vectors produced by pass  7 Test12= 7.54D-13 2.78D-09 XBig12= 6.98D-08 2.11D-05.
     30 vectors produced by pass  8 Test12= 7.54D-13 2.78D-09 XBig12= 2.06D-09 3.28D-06.
     30 vectors produced by pass  9 Test12= 7.54D-13 2.78D-09 XBig12= 5.03D-11 5.02D-07.
     27 vectors produced by pass 10 Test12= 7.54D-13 2.78D-09 XBig12= 1.16D-12 6.63D-08.
      9 vectors produced by pass 11 Test12= 7.54D-13 2.78D-09 XBig12= 8.82D-14 1.16D-08.
      2 vectors produced by pass 12 Test12= 7.54D-13 2.78D-09 XBig12= 6.62D-14 7.86D-09.
      2 vectors produced by pass 13 Test12= 7.54D-13 2.78D-09 XBig12= 3.26D-14 5.95D-09.
      2 vectors produced by pass 14 Test12= 7.54D-13 2.78D-09 XBig12= 3.37D-14 5.73D-09.
      2 vectors produced by pass 15 Test12= 7.54D-13 2.78D-09 XBig12= 1.61D-14 3.24D-09.
      2 vectors produced by pass 16 Test12= 7.54D-13 2.78D-09 XBig12= 2.72D-14 5.76D-09.
      2 vectors produced by pass 17 Test12= 7.54D-13 2.78D-09 XBig12= 2.77D-14 5.38D-09.
      2 vectors produced by pass 18 Test12= 7.54D-13 2.78D-09 XBig12= 2.36D-14 4.89D-09.
      2 vectors produced by pass 19 Test12= 7.54D-13 2.78D-09 XBig12= 2.36D-14 4.52D-09.
      2 vectors produced by pass 20 Test12= 7.54D-13 2.78D-09 XBig12= 2.69D-14 5.03D-09.
      1 vectors produced by pass 21 Test12= 7.54D-13 2.78D-09 XBig12= 1.74D-14 3.13D-09.
      1 vectors produced by pass 22 Test12= 7.54D-13 2.78D-09 XBig12= 1.99D-14 4.84D-09.
      1 vectors produced by pass 23 Test12= 7.54D-13 2.78D-09 XBig12= 1.87D-14 3.78D-09.
      1 vectors produced by pass 24 Test12= 7.54D-13 2.78D-09 XBig12= 2.45D-14 3.95D-09.
      1 vectors produced by pass 25 Test12= 7.54D-13 2.78D-09 XBig12= 2.31D-14 3.80D-09.
      1 vectors produced by pass 26 Test12= 7.54D-13 2.78D-09 XBig12= 1.89D-14 3.53D-09.
      1 vectors produced by pass 27 Test12= 7.54D-13 2.78D-09 XBig12= 1.59D-14 3.51D-09.
      1 vectors produced by pass 28 Test12= 7.54D-13 2.78D-09 XBig12= 2.05D-14 3.94D-09.
      1 vectors produced by pass 29 Test12= 7.54D-13 2.78D-09 XBig12= 1.92D-14 3.09D-09.
      1 vectors produced by pass 30 Test12= 7.54D-13 2.78D-09 XBig12= 1.94D-14 3.37D-09.
      1 vectors produced by pass 31 Test12= 7.54D-13 2.78D-09 XBig12= 2.21D-14 5.62D-09.
      1 vectors produced by pass 32 Test12= 7.54D-13 2.78D-09 XBig12= 1.81D-14 3.88D-09.
      1 vectors produced by pass 33 Test12= 7.54D-13 2.78D-09 XBig12= 2.08D-14 5.12D-09.
      1 vectors produced by pass 34 Test12= 7.54D-13 2.78D-09 XBig12= 1.53D-14 3.42D-09.
      1 vectors produced by pass 35 Test12= 7.54D-13 2.78D-09 XBig12= 2.05D-14 3.38D-09.
      1 vectors produced by pass 36 Test12= 7.54D-13 2.78D-09 XBig12= 1.70D-14 3.45D-09.
      1 vectors produced by pass 37 Test12= 7.54D-13 2.78D-09 XBig12= 1.81D-14 3.27D-09.
      1 vectors produced by pass 38 Test12= 7.54D-13 2.78D-09 XBig12= 1.70D-14 3.58D-09.
      1 vectors produced by pass 39 Test12= 7.54D-13 2.78D-09 XBig12= 2.18D-14 4.45D-09.
 InvSVY:  IOpt=1 It=  1 EMax= 2.00D-15
 Solved reduced A of dimension   373 with    30 vectors.
 PxScal for FxTab-FJK:  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  597871 ScalPx= 1.14D+05
 PxScal for FxTab-XC:  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    30 NTT=  597871 ScalPx= 1.14D+05
 PxSclF for G(Xab):  IOpCl= 1 ISclPx=1 IMOff=     0 NMtTot=    36 NTT=  597871 IRwP= 19964 19963 IPTmp= 19956 19955 ScalPx= 1.06D+05
 FullF1:  Do perturbations      1 to      30.
 End of Minotr F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.403253D+03  0.352500D+02  0.636003D-02
      2   0.352500D+02  0.342698D+03 -0.280380D-02
      3   0.636003D-02 -0.280380D-02  0.254991D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.123502D+02  0.227900D+02  0.397972D-01
      2   0.698216D+01  0.468508D+02  0.253618D-01
      3   0.238719D-01  0.411281D-02 -0.509473D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.210180D+00  0.361734D-01 -0.811487D-01
      2  -0.142204D+00  0.774678D-02 -0.112315D+03
      3  -0.679764D-01 -0.439202D-01  0.112397D+03
      4  -0.328264D-01 -0.590864D-01  0.892476D+02
      5   0.143328D+03  0.902531D+02  0.342835D-01
      6   0.133136D+02  0.507098D+02 -0.117463D+00
 End of Minotr F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.826316D+01 -0.927985D+00  0.178271D+01 -0.348528D+00  0.230482D+01
      2  -0.927985D+00  0.572936D+00  0.545033D+00  0.230482D+01 -0.764121D+00
      3   0.178271D+01  0.545033D+00  0.201665D+01 -0.164887D+00  0.362177D+00
                 6             7             8             9            10 
      1  -0.164887D+00 -0.164226D+01 -0.858358D+00  0.241556D+01 -0.253273D+01
      2   0.362177D+00 -0.858358D+00 -0.105034D+01  0.356602D+01  0.126033D+00
      3   0.356875D+01  0.241556D+01  0.356602D+01  0.347061D+00 -0.293913D+00
                11            12            13            14            15 
      1   0.126033D+00 -0.293913D+00  0.839277D+00 -0.463750D+01  0.117368D+01
      2  -0.332594D+01  0.101653D+01 -0.463750D+01 -0.682707D+00 -0.215583D+01
      3   0.101653D+01 -0.200839D+01  0.117368D+01 -0.215583D+01 -0.445134D+01
                16            17            18            19            20 
      1   0.916953D+00  0.121535D+01 -0.424371D+01  0.153669D+02  0.670655D+01
      2   0.121535D+01  0.318169D+00 -0.302629D+01  0.670655D+01  0.112117D+02
      3  -0.424371D+01 -0.302629D+01  0.319904D+00  0.274362D+00  0.995845D+00
                21            22            23            24            25 
      1   0.274362D+00  0.197855D+01  0.403377D+01 -0.182664D+00  0.627015D-01
      2   0.995845D+00  0.403377D+01  0.162390D+02  0.226016D+01  0.202684D+00
      3   0.153777D+01 -0.182664D+00  0.226016D+01  0.171539D+01  0.380510D+01
                26            27            28            29            30 
      1   0.202684D+00  0.380510D+01 -0.946060D+01  0.613507D+00 -0.350238D+00
      2   0.196207D+01  0.195612D+01  0.613507D+00  0.989719D+01  0.547025D+00
      3   0.195612D+01  0.816716D+00 -0.350238D+00  0.547025D+00 -0.504153D+00
                31            32            33            34            35 
      1   0.598005D+01  0.571147D+01 -0.400932D+00  0.121587D+01 -0.625635D+00
      2   0.571147D+01  0.308909D+01 -0.355115D-01 -0.625635D+00  0.105932D+01
      3  -0.400932D+00 -0.355115D-01  0.202961D+00  0.156479D+01  0.264441D+01
                36            37            38            39            40 
      1   0.156479D+01 -0.981167D+00  0.186885D+01 -0.608704D+00  0.952102D+01
      2   0.264441D+01  0.186885D+01  0.629948D+00  0.226485D+01  0.211709D+01
      3   0.836890D+00 -0.608704D+00  0.226485D+01 -0.340607D+01  0.254887D+01
                41            42            43            44            45 
      1   0.211709D+01  0.254887D+01  0.106777D+01  0.506194D+01 -0.540019D+01
      2  -0.110949D+01 -0.179718D+01  0.506194D+01 -0.600199D+00 -0.140569D+01
      3  -0.179718D+01  0.177818D+01 -0.540019D+01 -0.140569D+01  0.270278D+01
                46            47            48            49            50 
      1  -0.332682D+00 -0.372690D+01  0.181724D+01 -0.515287D+01 -0.526019D+01
      2  -0.372690D+01 -0.370004D+01 -0.434477D+00 -0.526019D+01  0.350833D+00
      3   0.181724D+01 -0.434477D+00  0.344746D+01  0.471522D+00  0.227932D+01
                51            52            53            54            55 
      1   0.471522D+00 -0.267445D+01 -0.329670D+01  0.491982D+01 -0.149360D+01
      2   0.227932D+01 -0.329670D+01 -0.235814D+00 -0.311516D+00 -0.524880D+01
      3  -0.975138D+00  0.491982D+01 -0.311516D+00 -0.182662D+01  0.163490D+01
                56            57            58            59            60 
      1  -0.524880D+01  0.163490D+01 -0.829983D+01  0.948881D+00 -0.198957D+01
      2  -0.270998D+00 -0.180565D+01  0.948881D+00  0.187689D+01  0.342068D+01
      3  -0.180565D+01  0.414616D+01 -0.198957D+01  0.342068D+01  0.303090D+01
                61            62            63            64            65 
      1   0.395896D+01 -0.125745D+01  0.482618D+01  0.924038D+01  0.383017D+01
      2  -0.125745D+01  0.350261D+01  0.264994D+01  0.383017D+01 -0.106943D+02
      3   0.482618D+01  0.264994D+01 -0.118911D+01  0.874340D+00 -0.147789D+01
                66            67            68            69            70 
      1   0.874340D+00  0.692367D+01  0.398169D+00  0.344131D+00  0.160491D+01
      2  -0.147789D+01  0.398169D+00  0.572953D+01  0.558330D+00  0.403422D-01
      3  -0.257650D+00  0.344131D+00  0.558330D+00  0.751275D+00 -0.117277D+01
                71            72            73            74            75 
      1   0.403422D-01 -0.117277D+01 -0.112690D-01  0.299756D-01 -0.153911D+00
      2  -0.334456D+00  0.115955D+01  0.299756D-01 -0.248710D-01 -0.359434D+00
      3   0.115955D+01  0.370432D+00 -0.153911D+00 -0.359434D+00  0.693579D-02
                76            77            78            79            80 
      1   0.842744D-02 -0.459922D-02 -0.863244D+00  0.175835D+01  0.586997D+00
      2  -0.459922D-02  0.194050D-01  0.335173D+00  0.586997D+00  0.318368D+00
      3  -0.863244D+00  0.335173D+00  0.413345D-02  0.119594D-02  0.576103D-05
                81            82            83            84            85 
      1   0.119594D-02 -0.338242D+01 -0.103923D+02 -0.183191D+01 -0.756772D+01
      2   0.576103D-05 -0.103923D+02 -0.363315D+01 -0.826050D+00  0.135358D+01
      3  -0.228293D+00 -0.183191D+01 -0.826050D+00 -0.103474D+00  0.626591D+00
                86            87            88            89            90 
      1   0.135358D+01  0.626591D+00 -0.202745D+01  0.426251D+00 -0.198173D+01
      2  -0.169310D+01 -0.404586D-01  0.426251D+00  0.389495D+00 -0.111977D+01
      3  -0.404586D-01 -0.111518D+00 -0.198173D+01 -0.111977D+01 -0.290081D+00
                91            92            93            94            95 
      1  -0.656386D+01  0.496322D+01  0.807192D+00 -0.901850D+01 -0.155925D+02
      2   0.496322D+01 -0.538615D+01 -0.406113D+00 -0.155925D+02 -0.265284D+02
      3   0.807192D+00 -0.406113D+00 -0.154210D+01 -0.203011D+01 -0.316521D+01
                96            97            98            99           100 
      1  -0.203011D+01 -0.264891D+01 -0.235450D+01 -0.222287D+01 -0.997996D+00
      2  -0.316521D+01 -0.235450D+01 -0.350689D+01 -0.482578D+01 -0.449312D+01
      3  -0.268515D+01 -0.222287D+01 -0.482578D+01 -0.182735D+01 -0.305499D+00
               101           102           103           104           105 
      1  -0.449312D+01 -0.305499D+00  0.101940D+01  0.989216D+01  0.168925D+01
      2  -0.318453D+01 -0.156206D+00  0.989216D+01  0.396949D+01  0.573376D+00
      3  -0.156206D+00 -0.112541D+01  0.168925D+01  0.573376D+00 -0.629045D+00
               106           107           108           109           110 
      1   0.161834D+01  0.144252D+01 -0.916429D+00  0.279014D+01  0.762823D+00
      2   0.144252D+01 -0.878607D+00  0.854359D+00  0.762823D+00  0.432462D+01
      3  -0.916429D+00  0.854359D+00 -0.417835D+00  0.158779D+01  0.333563D-02
               111           112           113           114           115 
      1   0.158779D+01 -0.127085D+01 -0.412913D+00 -0.525286D+00  0.146390D+01
      2   0.333563D-02 -0.412913D+00 -0.435974D+01  0.115770D+01  0.410956D+00
      3   0.906325D+00 -0.525286D+00  0.115770D+01 -0.515715D+00  0.152005D+01
               116           117           118           119           120 
      1   0.410956D+00  0.152005D+01 -0.164567D+01 -0.516290D+01  0.367645D+00
      2   0.411087D+01 -0.140697D+01 -0.516290D+01 -0.166106D+01 -0.166113D+01
      3  -0.140697D+01  0.363648D+01  0.367645D+00 -0.166113D+01  0.313895D+01
               121           122           123           124           125 
      1  -0.412722D+01 -0.166113D+01 -0.162443D+01  0.417817D+00 -0.184227D+01
      2  -0.166113D+01 -0.103990D+00  0.179763D+01 -0.184227D+01  0.195300D+01
      3  -0.162443D+01  0.179763D+01 -0.398154D+00  0.298609D+01 -0.774613D+00
               126           127           128           129           130 
      1   0.298609D+01  0.163704D+01  0.459729D+01 -0.656297D+00  0.684249D+01
      2  -0.774613D+00  0.459729D+01 -0.109276D+00  0.171383D+01 -0.197636D+01
      3  -0.366459D+01 -0.656297D+00  0.171383D+01 -0.242957D+01  0.187921D+01
               131           132           133           134           135 
      1  -0.197636D+01  0.187921D+01 -0.148998D+01  0.920709D+00 -0.349362D+01
      2  -0.212767D+01 -0.303577D+01  0.920709D+00 -0.316662D+01 -0.303481D+01
      3  -0.303577D+01 -0.256751D+01 -0.349362D+01 -0.303481D+01  0.142751D+01
               136           137           138           139           140 
      1   0.340690D+01  0.422002D+01 -0.136271D+01  0.476373D+01 -0.156672D+01
      2   0.422002D+01 -0.421589D+00  0.188821D+01 -0.156672D+01 -0.127197D+01
      3  -0.136271D+01  0.188821D+01 -0.255262D+01  0.165321D+01 -0.413319D+01
               141           142           143           144           145 
      1   0.165321D+01 -0.133831D+01  0.113030D+01 -0.255125D+01 -0.925402D+01
      2  -0.413319D+01  0.113030D+01 -0.302215D+01 -0.221097D+01 -0.383024D+01
      3  -0.218598D+01 -0.255125D+01 -0.221097D+01  0.121240D+01  0.887783D+00
               146           147           148           149           150 
      1  -0.383024D+01  0.887783D+00 -0.691695D+01 -0.383024D+00  0.341759D+00
      2   0.106839D+02 -0.148834D+01 -0.383024D+00 -0.573741D+01  0.563499D+00
      3  -0.148834D+01  0.261262D+00  0.341759D+00  0.563499D+00 -0.754954D+00
               151           152           153           154           155 
      1   0.161105D+01  0.433096D-01  0.117421D+01  0.946664D+01 -0.619142D+00
      2   0.433096D-01 -0.330360D+00 -0.116270D+01 -0.619142D+00 -0.987593D+01
      3   0.117421D+01 -0.116270D+01  0.369168D+00 -0.367901D+00  0.551104D+00
               156           157           158           159           160 
      1  -0.367901D+00 -0.593832D+01 -0.570674D+01 -0.409412D+00  0.120956D+01
      2   0.551104D+00 -0.570674D+01 -0.310380D+01 -0.384614D-01 -0.609882D+00
      3   0.506615D+00 -0.409412D+00 -0.384614D-01 -0.197988D+00 -0.156526D+01
               161           162           163           164           165 
      1  -0.609882D+00 -0.156526D+01  0.101058D+01 -0.189564D+01 -0.606610D+00
      2   0.104170D+01 -0.263733D+01 -0.189564D+01 -0.594042D+00  0.226710D+01
      3  -0.263733D+01  0.838247D+00 -0.606610D+00  0.226710D+01  0.340256D+01
               166           167           168           169           170 
      1  -0.949094D+01 -0.212716D+01  0.253860D+01  0.106566D+01  0.508108D+01
      2  -0.212716D+01  0.111440D+01 -0.179684D+01  0.508108D+01 -0.598012D+00
      3   0.253860D+01 -0.179684D+01 -0.176881D+01  0.538545D+01  0.141461D+01
               171           172           173           174           175 
      1   0.538545D+01  0.149948D+01  0.522066D+01  0.165420D+01  0.827004D+01
      2   0.141461D+01  0.522066D+01  0.289415D+00 -0.179827D+01 -0.933137D+00
      3   0.272388D+01  0.165420D+01 -0.179827D+01 -0.413435D+01 -0.199347D+01
               176           177           178           179           180 
      1  -0.933137D+00 -0.199347D+01  0.395742D+01 -0.125172D+01 -0.481020D+01
      2  -0.191696D+01  0.342531D+01 -0.125172D+01  0.348825D+01 -0.265478D+01
      3   0.342531D+01 -0.305060D+01 -0.481020D+01 -0.265478D+01 -0.121331D+01
               181           182           183           184           185 
      1   0.250292D+01 -0.964415D-01 -0.296372D+00 -0.840663D+00  0.461587D+01
      2  -0.964415D-01  0.330705D+01  0.101264D+01  0.461587D+01  0.703937D+00
      3  -0.296372D+00  0.101264D+01  0.200447D+01  0.117039D+01 -0.213785D+01
               186           187           188           189           190 
      1   0.117039D+01  0.971863D+00  0.119335D+01  0.426168D+01 -0.153547D+02
      2  -0.213785D+01  0.119335D+01  0.354119D+00  0.301568D+01 -0.669274D+01
      3   0.445782D+01  0.426168D+01  0.301568D+01  0.330766D+00  0.296107D+00
               191           192           193           194           195 
      1  -0.669274D+01  0.296107D+00 -0.198418D+01 -0.399956D+01 -0.166056D+00
      2  -0.111841D+02  0.986081D+00 -0.399956D+01 -0.162580D+02  0.224433D+01
      3   0.986081D+00 -0.153188D+01 -0.166056D+00  0.224433D+01 -0.171613D+01
               196           197           198           199           200 
      1   0.577052D-01  0.199938D+00 -0.380167D+01  0.827140D+01  0.940777D+00
      2   0.199938D+00  0.194939D+01 -0.194732D+01  0.940777D+00 -0.565683D+00
      3  -0.380167D+01 -0.194732D+01  0.817572D+00  0.179850D+01  0.550890D+00
               201           202           203           204           205 
      1   0.179850D+01  0.367380D+00 -0.233102D+01 -0.160556D+00 -0.160164D+01
      2   0.550890D+00 -0.233102D+01  0.776512D+00  0.342229D+00 -0.840433D+00
      3  -0.201152D+01 -0.160556D+00  0.342229D+00 -0.357139D+01 -0.240144D+01
               206           207           208           209           210 
      1  -0.840433D+00 -0.240144D+01  0.316782D+00  0.374102D+01  0.183560D+01
      2  -0.105819D+01 -0.357287D+01  0.374102D+01  0.368905D+01 -0.445779D+00
      3  -0.357287D+01  0.351643D+00  0.183560D+01 -0.445779D+00 -0.344377D+01
               211           212           213           214           215 
      1   0.514623D+01  0.526262D+01  0.477596D+00 -0.267831D+01 -0.328078D+01
      2   0.526262D+01 -0.347339D+00  0.228058D+01 -0.328078D+01 -0.251288D+00
      3   0.477596D+00  0.228058D+01  0.973935D+00 -0.491025D+01  0.294108D+00
               216           217           218           219           220 
      1  -0.491025D+01 -0.341952D+01 -0.421596D+01 -0.135443D+01 -0.476544D+01
      2   0.294108D+00 -0.421596D+01  0.425842D+00  0.186317D+01  0.155877D+01
      3  -0.183860D+01 -0.135443D+01  0.186317D+01  0.254683D+01  0.164643D+01
               221           222           223           224           225 
      1   0.155877D+01  0.164643D+01 -0.134917D+01  0.110112D+01  0.253894D+01
      2   0.127723D+01 -0.414084D+01  0.110112D+01 -0.302813D+01  0.221823D+01
      3  -0.414084D+01  0.219726D+01  0.253894D+01  0.221823D+01  0.121272D+01
               226           227           228           229           230 
      1  -0.160910D+01 -0.459378D+01 -0.681937D+00 -0.686474D+01  0.199541D+01
      2  -0.459378D+01  0.894401D-01  0.171304D+01  0.199541D+01  0.210169D+01
      3  -0.681937D+00  0.171304D+01  0.242080D+01  0.186386D+01 -0.301947D+01
               231           232           233           234           235 
      1   0.186386D+01 -0.151056D+01  0.901828D+00  0.348638D+01  0.161214D+01
      2  -0.301947D+01  0.901828D+00 -0.314587D+01  0.305131D+01  0.515015D+01
      3   0.257962D+01  0.348638D+01  0.305131D+01  0.144686D+01  0.376198D+00
               236           237           238           239           240 
      1   0.515015D+01  0.376198D+00  0.410962D+01  0.170611D+01 -0.161177D+01
      2   0.165658D+01 -0.165841D+01  0.170611D+01  0.107133D+00  0.178430D+01
      3  -0.165841D+01 -0.313464D+01 -0.161177D+01  0.178430D+01  0.375420D+00
               241           242           243           244           245 
      1   0.444643D+00 -0.185304D+01 -0.298865D+01  0.657375D+01 -0.498430D+01
      2  -0.185304D+01  0.196700D+01  0.771192D+00 -0.498430D+01  0.536810D+01
      3  -0.298865D+01  0.771192D+00 -0.366980D+01  0.800576D+00 -0.399539D+00
               246           247           248           249           250 
      1   0.800576D+00  0.898208D+01  0.155699D+02 -0.203280D+01 -0.264388D+01
      2  -0.399539D+00  0.155699D+02  0.265220D+02 -0.316538D+01 -0.235954D+01
      3   0.154141D+01 -0.203280D+01 -0.316538D+01  0.268957D+01  0.222047D+01
               251           252           253           254           255 
      1  -0.235954D+01  0.222047D+01  0.982638D+00  0.449985D+01 -0.301712D+00
      2  -0.349614D+01  0.482399D+01  0.449985D+01  0.317669D+01 -0.152666D+00
      3   0.482399D+01 -0.183308D+01 -0.301712D+00 -0.152666D+00  0.112451D+01
               256           257           258           259           260 
      1  -0.102538D+01 -0.986920D+01  0.167997D+01  0.162951D+01  0.143188D+01
      2  -0.986920D+01 -0.397723D+01  0.582256D+00  0.143188D+01 -0.867214D+00
      3   0.167997D+01  0.582256D+00  0.616624D+00  0.920535D+00 -0.855484D+00
               261           262           263           264           265 
      1   0.920535D+00 -0.279284D+01 -0.762657D+00  0.158855D+01  0.127495D+01
      2  -0.855484D+00 -0.762657D+00 -0.432978D+01  0.770314D-03  0.389436D+00
      3  -0.417325D+00  0.158855D+01  0.770314D-03 -0.909067D+00 -0.523985D+00
               266           267           268           269           270 
      1   0.389436D+00 -0.523985D+00  0.146619D+01  0.407834D+00 -0.151568D+01
      2   0.437365D+01  0.115708D+01  0.407834D+00  0.411103D+01  0.140594D+01
      3   0.115708D+01  0.523319D+00 -0.151568D+01  0.140594D+01  0.363878D+01
               271           272           273           274           275 
      1   0.336938D+01  0.103821D+02 -0.182280D+01  0.757198D+01 -0.135485D+01
      2   0.103821D+02  0.364402D+01 -0.830078D+00 -0.135485D+01  0.169528D+01
      3  -0.182280D+01 -0.830078D+00  0.103815D+00  0.621555D+00 -0.373023D-01
               276           277           278           279           280 
      1   0.621555D+00 -0.202758D+01  0.423838D+00  0.197854D+01 -0.355561D+01
      2  -0.373023D-01  0.423838D+00  0.390691D+00  0.111917D+01 -0.105350D+01
      3   0.117988D+00  0.197854D+01  0.111917D+01 -0.284885D+00 -0.146536D+01
               281           282           283           284           285 
      1  -0.105350D+01 -0.146536D+01  0.286040D+00 -0.397199D+00  0.752245D-01
      2  -0.444719D+01  0.102931D+01 -0.397199D+00  0.170349D+01 -0.128950D+01
      3   0.102931D+01 -0.138406D+01  0.752245D-01 -0.128950D+01  0.124558D+00
               286           287           288           289           290 
      1  -0.181082D+01 -0.271483D+00 -0.171903D+01  0.292051D+01  0.219425D+01
      2  -0.271483D+00 -0.240423D+01  0.122412D+01  0.219425D+01  0.193439D+01
      3  -0.171903D+01  0.122412D+01 -0.346690D+01 -0.536532D+00 -0.384841D+00
               291           292           293           294           295 
      1  -0.536532D+00  0.134001D+01  0.278857D+01 -0.359332D+00 -0.358481D+00
      2  -0.384841D+00  0.278857D+01  0.602162D+01 -0.990305D+00 -0.425424D+00
      3   0.660024D+00 -0.359332D+00 -0.990305D+00  0.580290D+00  0.868193D+00
               296           297           298           299           300 
      1  -0.425424D+00  0.868193D+00 -0.292247D+01 -0.218499D+01 -0.541449D+00
      2  -0.695280D+00  0.148932D+01 -0.218499D+01 -0.193509D+01 -0.383235D+00
      3   0.148932D+01 -0.898963D+00 -0.541449D+00 -0.383235D+00 -0.655393D+00
               301           302           303           304           305 
      1  -0.132477D+01 -0.280391D+01 -0.369452D+00 -0.355523D+00 -0.432570D+00
      2  -0.280391D+01 -0.599980D+01 -0.982742D+00 -0.432570D+00 -0.695410D+00
      3  -0.369452D+00 -0.982742D+00 -0.573680D+00 -0.869554D+00 -0.148789D+01
               306           307           308           309           310 
      1  -0.869554D+00  0.356829D+01  0.103899D+01 -0.145632D+01 -0.293559D+00
      2  -0.148789D+01  0.103899D+01  0.445721D+01  0.102376D+01  0.406723D+00
      3  -0.896500D+00 -0.145632D+01  0.102376D+01  0.138214D+01  0.718385D-01
               311           312           313           314           315 
      1   0.406723D+00  0.718385D-01 -0.180669D+01 -0.268966D+00  0.171213D+01
      2  -0.172602D+01 -0.129406D+01 -0.268966D+00 -0.240110D+01 -0.122481D+01
      3  -0.129406D+01 -0.134162D+00  0.171213D+01 -0.122481D+01 -0.346683D+01
               316           317           318           319           320 
      1  -0.473111D+01 -0.347317D+01 -0.140594D+01 -0.414379D+01 -0.454516D+01
      2  -0.347317D+01 -0.438378D+01 -0.936216D+00 -0.454516D+01 -0.637187D+01
      3  -0.140594D+01 -0.936216D+00 -0.107598D+01 -0.136792D+01 -0.204728D+01
               321           322           323           324           325 
      1  -0.136792D+01  0.253182D+00  0.157370D+00 -0.532414D+00  0.233449D+01
      2  -0.204728D+01  0.157370D+00 -0.110525D+01 -0.112909D+01 -0.135502D+01
      3  -0.162305D+01 -0.532414D+00 -0.112909D+01 -0.671254D+00 -0.202255D+01
               326           327           328           329           330 
      1  -0.135502D+01 -0.202255D+01 -0.629356D+00  0.164056D+00  0.407070D+00
      2   0.967708D+00  0.135089D+01  0.164056D+00 -0.147501D+01 -0.148473D+01
      3   0.135089D+01  0.359320D+01  0.407070D+00 -0.148473D+01 -0.119113D+01
               331           332           333           334           335 
      1  -0.110863D+01  0.639198D+00  0.181922D+01 -0.129038D+02 -0.447772D+00
      2   0.639198D+00 -0.137563D+01 -0.189001D+01 -0.447772D+00 -0.874254D+00
      3   0.181922D+01 -0.189001D+01 -0.500211D+01 -0.358641D+01 -0.101181D+00
               336           337           338           339           340 
      1  -0.358641D+01 -0.300991D+00 -0.107420D+01  0.164715D-01 -0.201634D+01
      2  -0.101181D+00 -0.107420D+01  0.336892D+00 -0.535252D+00  0.931833D-02
      3  -0.220880D+01  0.164715D-01 -0.535252D+00  0.155653D+00 -0.180472D+01
               341           342           343           344           345 
      1   0.931833D-02 -0.180472D+01 -0.435899D+00  0.424306D+00 -0.100781D+01
      2   0.286169D+00  0.101530D+00  0.424306D+00  0.694235D+00 -0.645343D+00
      3   0.101530D+00 -0.115290D+01 -0.100781D+01 -0.645343D+00  0.193336D+01
               346           347           348           349           350 
      1   0.623659D+00  0.157055D+00  0.229087D+00 -0.858407D+00  0.216660D+00
      2   0.157055D+00  0.179308D+01 -0.187104D+01  0.216660D+00 -0.170201D+01
      3   0.229087D+00 -0.187104D+01  0.309736D+01 -0.102072D+00  0.240786D+01
               351           352           353           354           355 
      1  -0.102072D+00 -0.393768D+01  0.298115D+01  0.393300D+00  0.356674D+01
      2   0.240786D+01  0.298115D+01 -0.166101D+01 -0.383560D+00 -0.260303D+01
      3  -0.632218D+01  0.393300D+00 -0.383560D+00 -0.950903D+00 -0.395647D+00
               356           357           358           359           360 
      1  -0.260303D+01 -0.395647D+00  0.543211D+00 -0.664931D+00 -0.142301D+01
      2   0.578907D+01  0.463778D+00 -0.664931D+00  0.290941D+00  0.884609D+00
      3   0.463778D+00  0.588442D+00 -0.142301D+01  0.884609D+00  0.497977D+00
               361           362           363           364           365 
      1   0.625151D+01  0.239421D+01  0.388171D+00  0.210668D+01  0.105373D+01
      2   0.239421D+01  0.136287D+01 -0.301259D+00  0.105373D+01  0.799496D+00
      3   0.388171D+00 -0.301259D+00  0.235058D+01 -0.539357D-01  0.672818D+00
               366           367           368           369           370 
      1  -0.539357D-01 -0.222162D+00 -0.287799D+00  0.129434D+01 -0.197088D+00
      2   0.672818D+00 -0.287799D+00  0.383480D+00  0.569501D+00 -0.314675D+00
      3   0.825189D+00  0.129434D+01  0.569501D+00 -0.251759D-01  0.102609D+01
               371           372           373           374           375 
      1  -0.314675D+00  0.102609D+01 -0.739399D+00 -0.726622D+00  0.561214D+00
      2  -0.119900D+00 -0.146921D+00 -0.726622D+00 -0.362284D+01  0.301221D+01
      3  -0.146921D+00 -0.498605D+00  0.561214D+00  0.301221D+01 -0.442543D+01
               376           377           378           379           380 
      1   0.105156D+01  0.295894D+00 -0.101933D+01 -0.328400D+01  0.190828D+01
      2   0.295894D+00  0.218635D+01 -0.271688D+01  0.190828D+01 -0.162218D+01
      3  -0.101933D+01 -0.271688D+01  0.517165D+01  0.246650D+01 -0.136250D+01
               381           382           383           384           385 
      1   0.246650D+01  0.271293D+01 -0.197557D+01 -0.191683D+01  0.149932D+01
      2  -0.136250D+01 -0.197557D+01  0.265010D+01  0.247754D+01 -0.891513D+00
      3  -0.299745D+01 -0.191683D+01  0.247754D+01  0.275854D+01 -0.209850D+01
               386           387           388           389           390 
      1  -0.891513D+00 -0.209850D+01 -0.281457D+01 -0.726955D+00 -0.161264D+01
      2   0.148301D+01  0.127547D+01 -0.726955D+00 -0.844023D+00 -0.777027D+00
      3   0.127547D+01  0.314662D+01 -0.161264D+01 -0.777027D+00 -0.146766D+01
               391           392           393           394           395 
      1  -0.827628D+00 -0.130188D+01 -0.837378D+00 -0.327755D+01 -0.129496D+01
      2  -0.130188D+01 -0.144105D+01 -0.606467D+00 -0.129496D+01 -0.100275D+01
      3  -0.837378D+00 -0.606467D+00 -0.124342D+01 -0.172845D+01 -0.123569D+01
               396           397           398           399           400 
      1  -0.172845D+01 -0.694067D+01  0.221186D+01  0.212776D+01  0.586728D+01
      2  -0.123569D+01  0.221186D+01 -0.135136D+01 -0.633397D+00 -0.216553D+01
      3  -0.385909D+01  0.212776D+01 -0.633397D+00 -0.157249D+01 -0.185995D+01
               401           402           403           404           405 
      1  -0.216553D+01 -0.185995D+01  0.287958D+01 -0.678651D+00 -0.230107D+01
      2   0.183152D+01  0.116506D+01 -0.678651D+00  0.976554D+00  0.323364D+00
      3   0.116506D+01  0.121267D+01 -0.230107D+01  0.323364D+00  0.151842D+01
               406           407           408           409           410 
      1  -0.107720D+01 -0.585641D+00  0.977094D+00 -0.207132D+01 -0.245522D+01
      2  -0.585641D+00 -0.461858D+00  0.179399D+00 -0.245522D+01 -0.480300D+01
      3   0.977094D+00  0.179399D+00 -0.527125D+00  0.124917D+01  0.283456D+01
               411           412           413           414           415 
      1   0.124917D+01  0.253925D+01  0.132710D+01 -0.198037D+01  0.320153D+01
      2   0.283456D+01  0.132710D+01  0.291782D+01 -0.262937D+01 -0.248009D+01
      3  -0.258772D+01 -0.198037D+01 -0.262937D+01  0.314812D+01 -0.113913D+01
               416           417           418           419           420 
      1  -0.248009D+01 -0.113913D+01 -0.184792D+01  0.165495D+01  0.651988D+00
      2   0.292507D+01  0.795041D+00  0.165495D+01 -0.374587D+01 -0.131479D+01
      3   0.795041D+00  0.149318D+01  0.651988D+00 -0.131479D+01 -0.716113D+00
               421           422           423           424           425 
      1  -0.179303D+01  0.111238D+01  0.146057D+01 -0.474232D+01 -0.392548D+01
      2   0.111238D+01 -0.284348D+01 -0.131522D+01 -0.392548D+01 -0.496848D+01
      3   0.146057D+01 -0.131522D+01 -0.137980D+01  0.421139D+00  0.814932D+00
               426           427           428           429           430 
      1   0.421139D+00 -0.295148D+01 -0.326351D+01  0.542099D+00 -0.174093D-01
      2   0.814932D+00 -0.326351D+01 -0.586908D+01  0.463378D+00  0.375247D+00
      3  -0.665943D+00  0.542099D+00  0.463378D+00 -0.737976D+00 -0.492214D+00
               431           432           433           434           435 
      1   0.375247D+00 -0.492214D+00  0.127950D+01 -0.805137D+00  0.126457D+01
      2  -0.108934D+00 -0.101319D+01 -0.805137D+00  0.995598D+00 -0.498252D+00
      3  -0.101319D+01  0.653139D+00  0.126457D+01 -0.498252D+00  0.213176D+01
               436           437           438           439           440 
      1   0.467050D-01  0.473987D+00  0.519852D-01  0.122677D+01 -0.499002D+00
      2   0.473987D+00  0.505254D-01  0.833027D+00 -0.499002D+00  0.203143D+01
      3   0.519852D-01  0.833027D+00 -0.249435D+00  0.164314D+01 -0.188072D+01
               441           442           443           444           445 
      1   0.164314D+01  0.182784D+00  0.309503D+00  0.102088D+01  0.721403D+00
      2  -0.188072D+01  0.309503D+00  0.105930D+00 -0.155128D+00  0.726004D+00
      3   0.628349D+01  0.102088D+01 -0.155128D+00  0.486738D+00  0.555407D+00
               446           447           448           449           450 
      1   0.726004D+00  0.555407D+00  0.104096D+01  0.298856D+00  0.101662D+01
      2   0.361442D+01  0.300612D+01  0.298856D+00  0.217217D+01  0.270659D+01
      3   0.300612D+01  0.442572D+01  0.101662D+01  0.270659D+01  0.516728D+01
               451           452           453           454           455 
      1  -0.625031D+01 -0.240048D+01  0.386400D+00 -0.210489D+01 -0.106386D+01
      2  -0.240048D+01 -0.136080D+01 -0.303788D+00 -0.106386D+01 -0.796112D+00
      3   0.386400D+00 -0.303788D+00 -0.234489D+01 -0.506285D-01  0.669433D+00
               456           457           458           459           460 
      1  -0.506285D-01 -0.233793D+00 -0.280007D+00 -0.130131D+01  0.329066D+01
      2   0.669433D+00 -0.280007D+00  0.375846D+00 -0.568944D+00 -0.193208D+01
      3  -0.824062D+00 -0.130131D+01 -0.568944D+00 -0.344947D-01  0.246651D+01
               461           462           463           464           465 
      1  -0.193208D+01  0.246651D+01 -0.269578D+01  0.196257D+01 -0.191794D+01
      2   0.163993D+01 -0.135648D+01  0.196257D+01 -0.264186D+01  0.247471D+01
      3  -0.135648D+01  0.300642D+01 -0.191794D+01  0.247471D+01 -0.277166D+01
               466           467           468           469           470 
      1   0.150996D+01 -0.884816D+00  0.211347D+01  0.107548D+01  0.604477D+00
      2  -0.884816D+00  0.148159D+01 -0.128201D+01  0.604477D+00  0.447508D+00
      3   0.211347D+01 -0.128201D+01  0.316850D+01  0.979908D+00  0.177842D+00
               471           472           473           474           475 
      1   0.979908D+00  0.207731D+01  0.246297D+01  0.124882D+01  0.253610D+01
      2   0.177842D+00  0.246297D+01  0.479304D+01  0.283493D+01  0.132195D+01
      3   0.527105D+00  0.124882D+01  0.283493D+01  0.258581D+01  0.197930D+01
               476           477           478           479           480 
      1   0.132195D+01  0.197930D+01  0.692618D+01 -0.220285D+01  0.215098D+01
      2   0.291270D+01  0.263122D+01 -0.220285D+01  0.134202D+01 -0.646311D+00
      3   0.263122D+01  0.314510D+01  0.215098D+01 -0.646311D+00  0.158289D+01
               481           482           483           484           485 
      1  -0.588108D+01  0.217734D+01 -0.186283D+01  0.289795D+01 -0.679842D+00
      2   0.217734D+01 -0.184583D+01  0.116601D+01 -0.679842D+00  0.985871D+00
      3  -0.186283D+01  0.116601D+01 -0.122739D+01  0.230887D+01 -0.331926D+00
               486           487           488           489           490 
      1   0.230887D+01  0.282531D+01  0.744498D+00 -0.163235D+01  0.823175D+00
      2  -0.331926D+00  0.744498D+00  0.830737D+00 -0.774374D+00  0.130693D+01
      3   0.152954D+01 -0.163235D+01 -0.774374D+00  0.145724D+01 -0.844276D+00
               491           492           493           494           495 
      1   0.130693D+01 -0.844276D+00 -0.328511D+01 -0.130954D+01  0.172861D+01
      2   0.143955D+01 -0.606364D+00 -0.130954D+01 -0.988765D+00  0.123160D+01
      3  -0.606364D+00  0.123753D+01  0.172861D+01  0.123160D+01 -0.384819D+01
               496           497           498           499           500 
      1   0.129164D+02  0.436001D+00 -0.356967D+01  0.295673D+00  0.107139D+01
      2   0.436001D+00  0.885629D+00 -0.938595D-01  0.107139D+01 -0.330714D+00
      3  -0.356967D+01 -0.938595D-01  0.219495D+01  0.128815D-01 -0.528336D+00
               501           502           503           504           505 
      1   0.128815D-01 -0.199846D+01 -0.831967D-02  0.177615D+01  0.433455D+00
      2  -0.528336D+00 -0.831967D-02  0.286170D+00 -0.915408D-01 -0.424988D+00
      3  -0.153069D+00  0.177615D+01 -0.915408D-01 -0.113158D+01 -0.999744D+00
               506           507           508           509           510 
      1  -0.424988D+00 -0.999744D+00 -0.628807D+00 -0.160530D+00  0.245835D+00
      2  -0.695485D+00 -0.647585D+00 -0.160530D+00 -0.179479D+01 -0.188125D+01
      3  -0.647585D+00 -0.192553D+01  0.245835D+00 -0.188125D+01 -0.309836D+01
               511           512           513           514           515 
      1  -0.867170D+00  0.230735D+00  0.991794D-01 -0.232193D+01  0.135320D+01
      2   0.230735D+00 -0.171075D+01 -0.240594D+01  0.135320D+01 -0.968322D+00
      3   0.991794D-01 -0.240594D+01 -0.633393D+01 -0.201695D+01  0.134841D+01
               516           517           518           519           520 
      1  -0.201695D+01  0.626242D+00 -0.164900D+00  0.399197D+00 -0.110995D+01
      2   0.134841D+01 -0.164900D+00  0.148014D+01 -0.148701D+01  0.653120D+00
      3  -0.359677D+01  0.399197D+00 -0.148701D+01  0.119431D+01 -0.180871D+01
               521           522           523           524           525 
      1   0.653120D+00 -0.180871D+01  0.474023D+01  0.347650D+01 -0.141042D+01
      2  -0.139036D+01  0.189303D+01  0.347650D+01  0.438809D+01 -0.934936D+00
      3   0.189303D+01 -0.501295D+01 -0.141042D+01 -0.934936D+00  0.108007D+01
               526           527           528           529           530 
      1   0.415249D+01  0.453658D+01 -0.137206D+01  0.239406D+00  0.183278D+00
      2   0.453658D+01  0.637354D+01 -0.203714D+01  0.183278D+00 -0.112299D+01
      3  -0.137206D+01 -0.203714D+01  0.162527D+01  0.535576D+00  0.112285D+01
               531           532           533           534           535 
      1   0.535576D+00  0.394014D+01 -0.298257D+01  0.396245D+00 -0.355632D+01
      2   0.112285D+01 -0.298257D+01  0.166044D+01 -0.385812D+00  0.258335D+01
      3  -0.675771D+00  0.396245D+00 -0.385812D+00  0.949666D+00 -0.399011D+00
               536           537           538           539           540 
      1   0.258335D+01 -0.399011D+00  0.609821D+00 -0.726722D+00  0.140870D+01
      2  -0.576976D+01  0.462907D+00 -0.726722D+00  0.349744D+00 -0.871791D+00
      3   0.462907D+00 -0.587558D+00  0.140870D+01 -0.871791D+00  0.507342D+00
               541           542           543           544           545 
      1   0.473124D+01  0.392285D+01  0.423605D+00  0.296865D+01  0.326377D+01
      2   0.392285D+01  0.497189D+01  0.815442D+00  0.326377D+01  0.587893D+01
      3   0.423605D+00  0.815442D+00  0.661474D+00  0.540353D+00  0.473634D+00
               546           547           548           549           550 
      1   0.540353D+00 -0.142720D-01  0.373681D+00  0.498141D+00 -0.317964D+01
      2   0.473634D+00  0.373681D+00 -0.990544D-01  0.101115D+01  0.247807D+01
      3   0.740373D+00  0.498141D+00  0.101115D+01  0.653325D+00 -0.114508D+01
               551           552           553           554           555 
      1   0.247807D+01 -0.114508D+01  0.184850D+01 -0.165469D+01  0.653913D+00
      2  -0.292441D+01  0.803703D+00 -0.165469D+01  0.376362D+01 -0.131949D+01
      3   0.803703D+00 -0.149754D+01  0.653913D+00 -0.131949D+01  0.730129D+00
               556           557           558           559           560 
      1  -0.178373D+01  0.111917D+01 -0.146185D+01 -0.127521D+01  0.807165D+00
      2   0.111917D+01 -0.285161D+01  0.132193D+01  0.807165D+00 -0.996133D+00
      3  -0.146185D+01  0.132193D+01 -0.138876D+01  0.127047D+01 -0.506147D+00
               561           562           563           564           565 
      1   0.127047D+01 -0.531424D-01 -0.475632D+00  0.471786D-01  0.122379D+01
      2  -0.506147D+00 -0.475632D+00 -0.496051D-01  0.840801D+00 -0.501314D+00
      3  -0.213956D+01  0.471786D-01  0.840801D+00  0.258661D+00 -0.164890D+01
               566           567 
      1  -0.501314D+00 -0.164890D+01
      2   0.203195D+01  0.188312D+01
      3   0.188312D+01  0.627795D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.787499D+00 -0.788548D+01 -0.121721D+01 -0.441822D+01  0.132397D+01
      2  -0.873297D+01  0.171674D+01  0.181453D+02 -0.428988D+01  0.535138D+01
      3   0.588297D+01 -0.806099D+01 -0.337125D+01 -0.123763D+02  0.932004D+00
                 6             7             8             9            10 
      1  -0.357722D+01  0.122066D+01  0.626551D+01 -0.862955D+01  0.127153D+01
      2   0.216823D+02  0.126265D+02  0.223800D+02  0.607371D+01 -0.831977D+00
      3  -0.275324D+01  0.616953D+01  0.961856D+01 -0.229529D+02 -0.325963D+01
                11            12            13            14            15 
      1   0.650812D+01  0.115627D+01  0.128858D+01  0.536126D+00 -0.510735D+01
      2   0.337304D+01 -0.720962D+01  0.514554D+01 -0.116360D+02 -0.227565D+02
      3   0.184470D+02 -0.642372D+01  0.362019D+02  0.425485D+01  0.110774D+02
                16            17            18            19            20 
      1   0.417472D+01  0.623076D+01  0.394999D+01 -0.101828D+01 -0.725338D+01
      2  -0.242432D+02 -0.188962D+02  0.628870D+00  0.370500D+01  0.437895D+01
      3  -0.105516D+02 -0.625057D+01  0.186481D+02 -0.318500D+02 -0.578393D+02
                21            22            23            24            25 
      1   0.980173D-01 -0.518784D-01 -0.256178D+01 -0.632105D+00  0.750962D+01
      2   0.600691D+01 -0.892757D+01  0.784845D+01  0.767520D+01  0.517097D+01
      3  -0.489383D+01  0.289820D+02 -0.696622D+02 -0.891473D+01  0.664580D+01
                26            27            28            29            30 
      1   0.300246D+01  0.145577D+01 -0.327168D+01 -0.389208D+01  0.270497D+01
      2   0.302502D+01  0.368722D+01 -0.108882D+02  0.887604D+00 -0.106188D+02
      3  -0.798616D+01 -0.128911D+02  0.429580D+02 -0.489354D+02 -0.562720D+01
                31            32            33            34            35 
      1   0.486729D+01 -0.570713D+01  0.579471D+01  0.274805D+01  0.578479D+01
      2   0.588955D+01 -0.293354D+01 -0.320289D+01 -0.103496D+02  0.682031D+01
      3  -0.573722D+02 -0.178406D+02 -0.266124D+01  0.785645D+00 -0.109513D+02
                36            37            38            39            40 
      1   0.374550D+00  0.474051D+01 -0.322068D+01  0.351338D+01 -0.714621D+01
      2   0.939329D+00 -0.576235D+01  0.108818D+02 -0.618278D+01  0.110730D+02
      3  -0.127483D+02 -0.110082D+02 -0.140505D+01 -0.112087D+02  0.182391D+02
                41            42            43            44            45 
      1   0.504987D+01 -0.111613D+02  0.123068D+02  0.151466D+02 -0.537747D+01
      2  -0.332542D+01  0.100450D+02 -0.325247D+02 -0.817964D+01  0.749150D+01
      3   0.113753D+02  0.143546D+02 -0.181283D+02  0.110484D+02 -0.565042D+01
                46            47            48            49            50 
      1  -0.163418D+01  0.419845D+01 -0.891496D+01  0.600380D+01 -0.826306D+01
      2   0.774770D+01 -0.759237D+01  0.214471D+02 -0.433232D-01  0.373524D+01
      3   0.178170D+02  0.305571D+01  0.701430D+01  0.140706D+02 -0.135655D+02
                51            52            53            54            55 
      1  -0.324817D+01 -0.137013D+02  0.207999D+01  0.668221D+01 -0.662958D+01
      2  -0.505287D+01  0.211430D+02 -0.228642D+01  0.416028D+00  0.149941D+02
      3  -0.101955D+02  0.742688D+01 -0.452419D+01  0.157507D+02  0.276356D+02
                56            57            58            59            60 
      1   0.640985D+01 -0.605082D+01  0.708600D+01 -0.593534D+00 -0.396330D+00
      2  -0.338888D+01  0.231145D+02 -0.658791D+01  0.163091D+02  0.169284D+02
      3  -0.969272D+01  0.116075D+02 -0.177397D+02 -0.121518D+02 -0.224196D+02
                61            62            63            64            65 
      1  -0.683768D+01  0.589450D+01  0.429182D+01  0.282958D+01  0.571774D+01
      2   0.168016D+02  0.137566D+02 -0.104822D+02  0.143479D+02 -0.257569D+01
      3   0.114465D+02 -0.198280D+02 -0.961132D+01 -0.672171D+02  0.331806D+02
                66            67            68            69            70 
      1   0.101414D+01 -0.174788D+01  0.701039D+00 -0.450305D+01  0.101168D+01
      2   0.120643D+02  0.421508D+01  0.176993D+01  0.389496D+01  0.456883D+01
      3   0.854444D+01 -0.242632D+02 -0.264238D+02 -0.185771D+01 -0.776616D+01
                71            72            73            74            75 
      1  -0.484202D+01 -0.110229D+01  0.174971D-01  0.350560D-01  0.185854D+01
      2   0.330865D+01  0.136259D+01 -0.143938D+00 -0.103105D+00 -0.166429D+02
      3   0.264395D+01 -0.302223D+01  0.161436D+02  0.338593D+02  0.135483D-01
                76            77            78            79            80 
      1   0.347128D-01 -0.633216D-01  0.208955D+01  0.247455D+01  0.189206D+02
      2  -0.466083D-01 -0.785408D-01  0.271075D+00 -0.765335D+02  0.241074D+01
      3   0.177764D+03 -0.158260D+02 -0.390700D-01 -0.316625D-01 -0.748564D-01
                81            82            83            84            85 
      1  -0.412792D-02  0.596741D+01  0.323775D+00 -0.186568D+01  0.270819D+01
      2   0.519036D-02 -0.172972D+02 -0.593709D+01  0.117029D+02  0.775179D+01
      3   0.998853D+00  0.114749D+03  0.175270D+02  0.659294D+01 -0.365592D+02
                86            87            88            89            90 
      1   0.157280D+01 -0.317915D+01 -0.106802D+02 -0.610864D+01 -0.905366D+00
      2   0.799553D+00 -0.173238D+01 -0.400937D+01 -0.395083D+01 -0.138626D+01
      3   0.131184D+02 -0.252405D+00 -0.110270D+02 -0.346806D+01  0.562132D+01
                91            92            93            94            95 
      1  -0.441214D+01  0.105156D+01 -0.103675D+01 -0.230347D+01  0.720582D+01
      2   0.119380D+02  0.322373D+01 -0.112841D+02 -0.633844D+01 -0.116590D+02
      3  -0.981790D+02  0.536499D+01 -0.247907D+01  0.753048D+02  0.143172D+03
                96            97            98            99           100 
      1  -0.135491D+01 -0.380547D+01  0.123135D+02  0.183112D+01  0.187135D+01
      2  -0.999778D+01 -0.256785D+02 -0.233067D+02 -0.714226D+01 -0.895289D+00
      3   0.179681D+02  0.138951D+02  0.217779D+02  0.240158D+02  0.173993D+02
               101           102           103           104           105 
      1   0.247084D+01 -0.355887D+01 -0.130122D+01 -0.439953D+01  0.330874D-02
      2  -0.906126D+00 -0.271092D+01  0.768102D+01  0.491347D+01 -0.161224D+01
      3   0.141696D+02  0.783464D-01 -0.456170D+02 -0.418864D+02 -0.703388D+01
               106           107           108           109           110 
      1   0.376694D+01  0.139599D+02  0.546913D+00  0.651250D+01 -0.115240D+01
      2  -0.772155D+01  0.516062D+01 -0.186971D+01  0.474634D+01 -0.242501D+00
      3  -0.971002D+01 -0.143139D+01  0.319620D+00 -0.124532D+02 -0.182222D+02
               111           112           113           114           115 
      1   0.390495D+01 -0.342404D+01  0.502317D+01 -0.461721D+01  0.501504D+01
      2   0.503666D+01 -0.179592D+01  0.289035D+01 -0.277034D+01  0.324624D+01
      3  -0.556869D+01  0.845713D+01  0.155414D+02 -0.231059D+01 -0.650655D+01
               116           117           118           119           120 
      1  -0.519968D+01  0.134108D+02 -0.473025D+01  0.642355D+01 -0.122452D+02
      2  -0.401120D+01  0.129342D+02  0.132136D+01 -0.530425D+00  0.119396D+02
      3  -0.149421D+02 -0.314876D+00  0.121504D+02 -0.201939D+02  0.666639D+01
               121           122           123           124           125 
      1   0.393966D+01 -0.863715D+01  0.488840D+00 -0.120037D+02  0.101566D+02
      2  -0.206781D+01  0.672859D+01 -0.132398D+00  0.705587D+01 -0.127371D+00
      3  -0.815739D+01 -0.710933D+01 -0.134575D+02  0.994668D+01 -0.142488D+02
               126           127           128           129           130 
      1   0.153831D+02  0.562594D+01 -0.509040D+01  0.653528D+01 -0.913343D+01
      2  -0.137708D+02 -0.437469D+01  0.705503D+01 -0.149880D+02  0.735005D+01
      3   0.159506D+02 -0.297322D+02  0.879299D+01 -0.132151D+02  0.332660D+02
               131           132           133           134           135 
      1   0.213681D+01 -0.221989D+01  0.966877D+01  0.444511D+01 -0.649888D+01
      2  -0.176548D+02 -0.208231D+02 -0.288232D+02 -0.247146D+02  0.142926D+02
      3   0.123620D+02  0.260109D+02 -0.962597D+01  0.229316D+02  0.157139D+02
               136           137           138           139           140 
      1   0.148902D+02 -0.285573D+01  0.734385D+01 -0.680731D+01  0.107518D+00
      2  -0.201562D+02 -0.507532D+01 -0.338102D+01 -0.631106D+01 -0.171967D+02
      3  -0.190212D+02  0.129666D+01 -0.877826D+01  0.125598D+02  0.517800D+01
               141           142           143           144           145 
      1  -0.174020D+02  0.455585D+01 -0.733940D+01 -0.818032D+01 -0.280052D+01
      2  -0.158018D+02 -0.914288D+01 -0.128104D+02  0.132282D+02 -0.143239D+02
      3   0.193661D+02 -0.532278D+01  0.148630D+02  0.891937D+01 -0.672518D+02
               146           147           148           149           150 
      1  -0.568634D+01  0.101991D+01  0.173190D+01 -0.743048D+00 -0.449401D+01
      2   0.263886D+01  0.120357D+02 -0.423759D+01 -0.181482D+01  0.390833D+01
      3   0.331312D+02 -0.861316D+01 -0.243079D+02 -0.264244D+02  0.186320D+01
               151           152           153           154           155 
      1   0.102018D+01 -0.485086D+01  0.109184D+01  0.324248D+01  0.387487D+01
      2   0.461916D+01  0.331621D+01 -0.137183D+01  0.109832D+02 -0.888824D+00
      3   0.779873D+01 -0.255998D+01 -0.302263D+01  0.430620D+02 -0.490036D+02
               156           157           158           159           160 
      1   0.278460D+01 -0.485167D+01  0.577690D+01  0.579973D+01  0.276305D+01
      2  -0.106176D+02 -0.585238D+01  0.295099D+01 -0.320496D+01 -0.102800D+02
      3   0.568359D+01 -0.573876D+02 -0.178459D+02  0.269362D+01 -0.636571D+00
               161           162           163           164           165 
      1   0.575695D+01 -0.369278D+00 -0.484681D+01  0.323060D+01  0.349507D+01
      2   0.681571D+01 -0.992282D+00  0.576809D+01 -0.108429D+02 -0.615019D+01
      3   0.109027D+02 -0.127427D+02 -0.111022D+02 -0.137753D+01  0.112424D+02
               166           167           168           169           170 
      1   0.711609D+01 -0.507123D+01 -0.111399D+02  0.122511D+02  0.151396D+02
      2  -0.109838D+02  0.339119D+01  0.100027D+02 -0.324780D+02 -0.819714D+01
      3   0.181661D+02  0.113759D+02 -0.143614D+02  0.182122D+02 -0.110384D+02
               171           172           173           174           175 
      1   0.541015D+01  0.665471D+01 -0.645273D+01 -0.603271D+01 -0.705526D+01
      2  -0.751377D+01 -0.150992D+02  0.340454D+01  0.230310D+02  0.643200D+01
      3  -0.557018D+01  0.276983D+02 -0.959259D+01 -0.116438D+02 -0.176391D+02
               176           177           178           179           180 
      1   0.616960D+00 -0.427593D+00 -0.686134D+01  0.588270D+01 -0.432733D+01
      2  -0.164322D+02  0.169830D+02  0.167804D+02  0.137405D+02  0.105669D+02
      3  -0.122796D+02  0.224414D+02 -0.113476D+02  0.197741D+02 -0.966048D+01
               181           182           183           184           185 
      1  -0.128057D+01 -0.651229D+01  0.114795D+01 -0.135420D+01 -0.561464D+00
      2   0.982293D+00 -0.336440D+01 -0.716739D+01 -0.514268D+01  0.116575D+02
      3  -0.330568D+01  0.184959D+02  0.640154D+01  0.363045D+02  0.423814D+01
               186           187           188           189           190 
      1  -0.512359D+01  0.422018D+01  0.625356D+01 -0.395545D+01  0.102097D+01
      2  -0.227318D+02 -0.242859D+02 -0.188732D+02 -0.653019D+00 -0.365259D+01
      3  -0.110241D+02  0.102577D+02  0.652119D+01  0.186313D+02 -0.320510D+02
               191           192           193           194           195 
      1   0.729795D+01  0.101853D+00  0.753545D-01  0.260256D+01 -0.626119D+00
      2  -0.434554D+01  0.596440D+01  0.894928D+01 -0.787995D+01  0.764826D+01
      3  -0.576519D+02  0.489221D+01  0.288360D+02 -0.695451D+02  0.890812D+01
               196           197           198           199           200 
      1   0.749313D+01  0.303821D+01 -0.145956D+01  0.786643D+00  0.789833D+01
      2   0.524532D+01  0.300008D+01 -0.369911D+01  0.853893D+01 -0.178670D+01
      3  -0.668361D+01  0.797616D+01 -0.128966D+02  0.586478D+01 -0.793108D+01
               201           202           203           204           205 
      1  -0.128403D+01  0.434778D+01 -0.131160D+01 -0.357081D+01  0.124194D+01
      2   0.181791D+02  0.431282D+01 -0.521882D+01  0.217130D+02  0.124819D+02
      3   0.344180D+01 -0.123699D+02  0.927586D+00  0.266052D+01 -0.622143D+01
               206           207           208           209           210 
      1   0.630137D+01  0.864217D+01  0.165927D+01 -0.418844D+01 -0.887513D+01
      2   0.223069D+02 -0.603213D+01 -0.771296D+01  0.757068D+01  0.214058D+02
      3  -0.947978D+01 -0.229000D+02  0.177495D+02  0.320574D+01 -0.703578D+01
               211           212           213           214           215 
      1  -0.597870D+01  0.826586D+01 -0.323882D+01 -0.136542D+02  0.207190D+01
      2   0.313219D-01 -0.364534D+01 -0.502554D+01  0.211338D+02 -0.225862D+01
      3   0.140317D+02 -0.135637D+02  0.101719D+02 -0.765071D+01  0.461125D+01
               216           217           218           219           220 
      1  -0.672166D+01 -0.148969D+02  0.288504D+01  0.727327D+01  0.683245D+01
      2  -0.375212D+00  0.202232D+02  0.520814D+01 -0.332398D+01  0.640711D+01
      3   0.157142D+02 -0.192281D+02  0.142517D+01  0.873948D+01  0.125534D+02
               221           222           223           224           225 
      1  -0.159995D+00 -0.173956D+02  0.458592D+01 -0.733389D+01  0.822605D+01
      2   0.172182D+02 -0.157649D+02 -0.908783D+01 -0.128760D+02 -0.132370D+02
      3   0.511065D+01 -0.193823D+02  0.517722D+01 -0.149235D+02  0.896899D+01
               226           227           228           229           230 
      1  -0.558335D+01  0.511795D+01  0.647242D+01  0.915536D+01 -0.211635D+01
      2   0.446431D+01 -0.708874D+01 -0.149345D+02 -0.729404D+01  0.175381D+02
      3  -0.296217D+02  0.865668D+01  0.132256D+02  0.334086D+02  0.123191D+02
               231           232           233           234           235 
      1  -0.217136D+01  0.960507D+01  0.449743D+01  0.654895D+01  0.472798D+01
      2  -0.209544D+02 -0.287503D+02 -0.247590D+02 -0.143986D+02 -0.129339D+01
      3  -0.259074D+02  0.955706D+01 -0.228775D+02  0.157972D+02  0.122579D+02
               236           237           238           239           240 
      1  -0.642366D+01 -0.122316D+02 -0.387163D+01  0.862827D+01  0.466486D+00
      2   0.554358D+00  0.119139D+02  0.202378D+01 -0.679629D+01 -0.139092D+00
      3  -0.202581D+02 -0.671422D+01 -0.832431D+01 -0.695487D+01  0.134560D+02
               241           242           243           244           245 
      1  -0.120157D+02  0.100901D+02 -0.154450D+02  0.443619D+01 -0.106296D+01
      2   0.700163D+01 -0.512660D-01  0.138111D+02 -0.119926D+02 -0.323952D+01
      3  -0.989334D+01  0.141646D+02  0.158875D+02 -0.981482D+02  0.520206D+01
               246           247           248           249           250 
      1  -0.103749D+01  0.237581D+01 -0.716661D+01 -0.138351D+01 -0.379650D+01
      2  -0.113149D+02  0.621485D+01  0.116652D+02 -0.100510D+02 -0.256261D+02
      3   0.246498D+01  0.752568D+02  0.143335D+03 -0.180264D+02 -0.138963D+02
               251           252           253           254           255 
      1   0.122997D+02 -0.182434D+01 -0.185395D+01 -0.250233D+01 -0.355992D+01
      2  -0.232430D+02  0.713391D+01  0.914317D+00  0.882139D+00 -0.270307D+01
      3  -0.218055D+02  0.240160D+02  0.173916D+02  0.142247D+02 -0.818072D-01
               256           257           258           259           260 
      1   0.134053D+01  0.442929D+01 -0.298533D-01  0.372769D+01  0.139588D+02
      2  -0.765943D+01 -0.497733D+01 -0.157518D+01 -0.772033D+01  0.520174D+01
      3  -0.453831D+02 -0.421151D+02  0.703290D+01  0.967845D+01  0.149647D+01
               261           262           263           264           265 
      1  -0.551768D+00 -0.653919D+01  0.114971D+01  0.392340D+01  0.347200D+01
      2   0.185901D+01 -0.471136D+01  0.240081D+00  0.506290D+01  0.178328D+01
      3   0.307633D+00 -0.124722D+02 -0.182749D+02  0.556683D+01  0.835538D+01
               266           267           268           269           270 
      1  -0.501685D+01 -0.461827D+01  0.502428D+01 -0.519898D+01 -0.134134D+02
      2  -0.286032D+01 -0.278059D+01  0.320084D+01 -0.400934D+01 -0.129437D+02
      3   0.156037D+02  0.232885D+01  0.643798D+01  0.149545D+02 -0.299204D+00
               271           272           273           274           275 
      1  -0.591762D+01 -0.298122D+00 -0.186330D+01 -0.272765D+01 -0.154449D+01
      2   0.172570D+02  0.589653D+01  0.116963D+02 -0.771891D+01 -0.785130D+00
      3   0.114806D+03  0.175696D+02 -0.660986D+01 -0.364708D+02  0.130771D+02
               276           277           278           279           280 
      1  -0.316046D+01 -0.106687D+02 -0.610584D+01  0.910176D+00  0.730428D+01
      2  -0.174627D+01 -0.404663D+01 -0.397818D+01  0.138561D+01  0.646366D+00
      3   0.284885D+00  0.109825D+02  0.348423D+01  0.562426D+01 -0.153441D+02
               281           282           283           284           285 
      1   0.194505D+01  0.459139D+01 -0.151403D+01  0.141275D+01 -0.110474D+01
      2  -0.315932D+01  0.544803D+01  0.339174D+00  0.262193D+01 -0.862878D+00
      3  -0.201207D+02 -0.156318D+01  0.224393D+01  0.421974D+01 -0.418430D+01
               286           287           288           289           290 
      1   0.584893D+01 -0.429571D+00  0.115003D+02  0.283189D+00 -0.277401D+00
      2   0.226188D+01 -0.301321D+01  0.107407D+02  0.407378D+01  0.241963D+01
      3  -0.536147D+01 -0.930758D+01 -0.189199D+01  0.243260D+02  0.130257D+02
               291           292           293           294           295 
      1  -0.336258D+01 -0.743980D+00 -0.111764D+01 -0.565204D+01 -0.305444D+01
      2  -0.101646D+00  0.298497D+01  0.447884D+01 -0.692941D+00 -0.361548D+01
      3  -0.329536D+01  0.213810D+02  0.284054D+02 -0.434268D+01 -0.412332D+01
               296           297           298           299           300 
      1  -0.326786D+01  0.289827D+01 -0.305502D+00  0.276572D+00 -0.336245D+01
      2  -0.426431D+01  0.269325D+01 -0.407119D+01 -0.245377D+01 -0.871109D-01
      3  -0.346895D+01  0.833408D+01  0.242897D+02  0.130267D+02  0.333054D+01
               301           302           303           304           305 
      1   0.716562D+00  0.111763D+01 -0.563471D+01 -0.306857D+01 -0.326494D+01
      2  -0.299480D+01 -0.444034D+01 -0.654508D+00 -0.362718D+01 -0.425125D+01
      3   0.214656D+02  0.282996D+02  0.433220D+01  0.414244D+01  0.347829D+01
               306           307           308           309           310 
      1  -0.289627D+01 -0.729485D+01 -0.194747D+01  0.457129D+01  0.152815D+01
      2  -0.268675D+01 -0.666695D+00  0.317556D+01  0.545158D+01 -0.301559D+00
      3   0.833325D+01 -0.154405D+02 -0.200602D+02  0.153398D+01  0.227280D+01
               311           312           313           314           315 
      1  -0.140657D+01 -0.112131D+01  0.582964D+01 -0.431986D+00 -0.114887D+02
      2  -0.266923D+01 -0.900454D+00  0.227713D+01 -0.300947D+01 -0.107221D+02
      3   0.423023D+01  0.423424D+01  0.539956D+01  0.924036D+01 -0.185784D+01
               316           317           318           319           320 
      1   0.150706D+01  0.576969D+01 -0.246964D+01  0.184532D+01  0.418926D+01
      2  -0.134892D+01 -0.124556D+01  0.510477D+01  0.107808D+01  0.384140D+01
      3  -0.440537D+01 -0.141433D+02 -0.137580D+01 -0.905546D+01 -0.197875D+02
               321           322           323           324           325 
      1  -0.408796D+01  0.347471D+00  0.342451D+00  0.815406D+00 -0.243321D+01
      2   0.720039D+01  0.877349D+00  0.465421D+01  0.262017D+01  0.162344D+02
      3  -0.637692D+01 -0.396926D+00 -0.575547D+01 -0.424750D+01 -0.141251D+02
               326           327           328           329           330 
      1   0.486885D-01  0.713127D+01  0.277982D-01 -0.108337D+01 -0.136160D+01
      2  -0.790110D+01 -0.184039D+02 -0.309040D+01  0.751614D+01  0.598297D+01
      3   0.658669D+01  0.116397D+02  0.364751D+01 -0.705592D+01 -0.793327D+01
               331           332           333           334           335 
      1   0.302294D+01 -0.145825D+00 -0.832042D+01 -0.579806D+00  0.344811D+01
      2  -0.131561D+02  0.100697D+02  0.255414D+02 -0.399028D+01 -0.246192D-01
      3   0.679216D+01 -0.753602D+01 -0.141808D+02  0.108308D+00 -0.893414D+01
               336           337           338           339           340 
      1  -0.756971D+00  0.263561D+01  0.102386D+01 -0.728488D+00 -0.349116D+00
      2   0.988199D+01 -0.122749D+01  0.725060D+00 -0.702086D+00  0.610759D+01
      3   0.532056D+00 -0.432527D+01  0.123770D+01 -0.257453D+01  0.141520D+01
               341           342           343           344           345 
      1   0.721239D+00 -0.151829D+01 -0.132495D+01 -0.278215D+01  0.148542D+01
      2  -0.828952D+00  0.381110D+01  0.639067D+01  0.445186D+01 -0.117715D+02
      3   0.555120D+00  0.117967D+01  0.247312D+01  0.355986D+01 -0.359447D+01
               346           347           348           349           350 
      1  -0.115901D+01 -0.595130D+01  0.339346D+01 -0.753701D+00  0.570083D+01
      2   0.101806D+01  0.111102D+02 -0.169200D+02 -0.370996D+01 -0.134011D+02
      3   0.316433D+01  0.109353D+02 -0.106166D+02  0.138507D+00 -0.900802D+01
               351           352           353           354           355 
      1  -0.666250D+01 -0.130249D+01 -0.247568D+00  0.187896D+01  0.104164D+01
      2   0.344585D+02 -0.274088D+01  0.187094D+01  0.624351D+01  0.262693D+01
      3   0.144590D+02  0.122110D+02 -0.897718D+01 -0.168313D+01 -0.905972D+01
               356           357           358           359           360 
      1  -0.872110D+00 -0.263070D+01  0.154938D+00  0.204163D+01 -0.933703D+00
      2  -0.244826D+01 -0.415181D+01  0.604415D+01 -0.422741D+01 -0.279101D+01
      3   0.321312D+02  0.216688D+01 -0.350675D+01  0.189389D+01  0.442193D+01
               361           362           363           364           365 
      1   0.773629D+01  0.367931D+01  0.692409D+00  0.458511D+01  0.367693D+01
      2  -0.246315D+02 -0.753387D+01 -0.813801D+01 -0.772047D+01 -0.693557D+01
      3   0.953860D+01  0.334811D+01 -0.152753D+01  0.579024D+01  0.315360D+01
               366           367           368           369           370 
      1   0.924910D+00  0.551867D+00  0.247445D+01  0.121688D+01 -0.308358D+00
      2  -0.261979D+01 -0.632321D+01 -0.128816D+01 -0.339240D+01 -0.500890D+01
      3   0.254634D+01 -0.951828D+00  0.134110D+01  0.197569D+01 -0.873920D+00
               371           372           373           374           375 
      1  -0.944711D+00 -0.820892D+00 -0.167583D+01 -0.120511D+02  0.450343D+01
      2   0.178893D+01  0.606320D+00  0.129476D+01 -0.127602D+02  0.200317D+02
      3  -0.965966D+00 -0.134368D+01 -0.946497D+00 -0.162047D+02  0.131911D+02
               376           377           378           379           380 
      1   0.250561D+00  0.787141D+01 -0.436712D+01  0.805321D+01 -0.691828D+01
      2  -0.249493D-01  0.117731D+02 -0.219606D+02 -0.269746D+01  0.100880D+01
      3  -0.491149D+00  0.948510D+01 -0.114873D+02  0.940916D+01 -0.954712D+01
               381           382           383           384           385 
      1  -0.522883D+01 -0.733243D+01  0.112779D+02  0.752778D+01 -0.429219D+01
      2   0.991929D+01 -0.111488D-01 -0.725336D+01 -0.862198D+01  0.349581D+01
      3  -0.766300D+01 -0.785474D+01  0.145908D+02  0.120782D+02 -0.370149D+01
               386           387           388           389           390 
      1   0.660653D+01  0.557356D+01 -0.342127D+01 -0.159455D+01 -0.373854D+01
      2  -0.347254D+01 -0.967912D+01  0.125008D+02  0.603168D+01  0.131857D+02
      3   0.776872D+01  0.681589D+01  0.208462D+00 -0.534771D+01 -0.242400D+01
               391           392           393           394           395 
      1  -0.264800D+01 -0.184265D+01 -0.422218D+01 -0.382476D+01 -0.179782D+01
      2   0.594321D+01  0.524116D+01  0.102964D+02  0.123955D+02  0.956593D+01
      3  -0.585706D+01 -0.764421D+01 -0.336704D+01 -0.247955D+01 -0.625232D+01
               396           397           398           399           400 
      1  -0.973967D+01  0.637990D+01 -0.359179D+01 -0.273244D+01 -0.636496D+01
      2   0.321926D+02 -0.585751D+01  0.260113D+01  0.101513D+02  0.557741D+01
      3  -0.588224D+01  0.249501D+02 -0.149537D+02 -0.817283D+01 -0.224588D+02
               401           402           403           404           405 
      1   0.494882D+01  0.203338D+01 -0.462301D+01  0.270134D+01  0.251864D+01
      2  -0.532270D+01 -0.747833D+01  0.103220D+02 -0.133048D+01 -0.786106D+01
      3   0.180172D+02  0.109978D+02 -0.882276D+01  0.885773D+01  0.593113D+01
               406           407           408           409           410 
      1   0.828173D+00 -0.658992D+00 -0.789617D+00 -0.935384D+00 -0.226803D+01
      2  -0.557096D+01 -0.809543D+00  0.313636D+01 -0.487560D+01 -0.170667D+02
      3  -0.244205D+01 -0.309761D+01 -0.315246D+00 -0.111175D+02 -0.301175D+02
               411           412           413           414           415 
      1  -0.293929D+01 -0.165252D+01  0.932226D+00  0.305557D+01 -0.656139D+01
      2   0.172595D+02  0.823716D+01  0.163173D+02 -0.191935D+02  0.150413D+01
      3   0.178282D+02  0.357647D+01  0.190678D+02 -0.150270D+02 -0.250921D+02
               416           417           418           419           420 
      1   0.480358D+01  0.746949D+01  0.436349D+01 -0.718798D+01 -0.529012D+01
      2  -0.515804D+00 -0.248129D+01 -0.733458D+00  0.274323D+01  0.747353D+00
      3   0.193116D+02  0.836652D+01  0.165846D+02 -0.200613D+02 -0.795620D+01
               421           422           423           424           425 
      1   0.640529D+01 -0.510402D+01 -0.682815D+01 -0.102378D+01 -0.120037D+00
      2  -0.476785D+01  0.327230D+01  0.267021D+01  0.212979D+01 -0.259644D+00
      3   0.131138D+02 -0.144753D+02 -0.112777D+02  0.521919D+01 -0.586731D+01
               426           427           428           429           430 
      1  -0.361197D+01 -0.328911D+00 -0.268883D+01 -0.366917D+01 -0.128125D+01
      2   0.367329D+01  0.947395D+00  0.495402D+00  0.300493D+01  0.593103D+00
      3   0.172039D+01  0.158187D+01 -0.108733D+02 -0.316219D+00  0.112211D+01
               431           432           433           434           435 
      1  -0.223463D+01  0.173812D+01  0.405305D+01 -0.395210D+00  0.801672D+01
      2   0.302305D+01 -0.198966D+01 -0.667972D+01  0.212695D+01 -0.749590D+01
      3  -0.233158D+01 -0.233141D+01 -0.867381D+01  0.576101D+01 -0.730527D+01
               436           437           438           439           440 
      1   0.122077D+00  0.313074D+01 -0.391648D+00  0.592536D+01 -0.199981D+01
      2  -0.233554D+00 -0.309068D+01  0.109913D+01 -0.948666D+01  0.698956D+01
      3   0.310473D+01 -0.145402D+01  0.280335D+01 -0.831217D+01  0.839118D+01
               441           442           443           444           445 
      1   0.239876D+02  0.283763D+00  0.899079D+00 -0.835965D+00  0.163999D+01
      2  -0.214747D+02  0.500722D+01 -0.182394D+01  0.566929D+00 -0.131476D+01
      3  -0.151672D+02 -0.856478D+00 -0.933766D+00  0.138308D+01 -0.930666D+00
               446           447           448           449           450 
      1   0.120839D+02  0.448682D+01  0.266913D+00  0.785084D+01  0.434317D+01
      2   0.127562D+02  0.200281D+02 -0.904933D-01  0.117639D+02  0.219436D+02
      3  -0.162029D+02 -0.131559D+02  0.386637D+00 -0.938549D+01 -0.114696D+02
               451           452           453           454           455 
      1  -0.773214D+01 -0.369292D+01  0.671890D+00 -0.460133D+01 -0.368558D+01
      2   0.245975D+02  0.752866D+01 -0.809873D+01  0.769503D+01  0.695037D+01
      3   0.949872D+01  0.338927D+01  0.155320D+01  0.578911D+01  0.315739D+01
               456           457           458           459           460 
      1   0.911592D+00  0.555431D+00  0.247920D+01 -0.121641D+01 -0.805964D+01
      2  -0.261254D+01 -0.623554D+01 -0.130904D+01  0.331551D+01  0.267087D+01
      3  -0.254671D+01  0.103617D+01 -0.137543D+01  0.198724D+01  0.949626D+01
               461           462           463           464           465 
      1   0.690180D+01 -0.523028D+01  0.730123D+01 -0.112480D+02  0.754167D+01
      2  -0.970435D+00  0.989919D+01  0.419744D-01  0.729719D+01 -0.867253D+01
      3  -0.958503D+01  0.764156D+01 -0.780279D+01  0.145431D+02 -0.120996D+02
               466           467           468           469           470 
      1  -0.427374D+01  0.661510D+01 -0.558180D+01 -0.813824D+00  0.633876D+00
      2   0.354116D+01 -0.347424D+01  0.971925D+01  0.562133D+01  0.800904D+00
      3   0.364062D+01 -0.777302D+01  0.683688D+01 -0.254944D+01 -0.302248D+01
               471           472           473           474           475 
      1  -0.803213D+00  0.930318D+00  0.226390D+01 -0.293271D+01 -0.166776D+01
      2   0.313772D+01  0.491166D+01  0.170802D+02  0.172790D+02  0.824262D+01
      3   0.337001D+00 -0.111526D+02 -0.301328D+02 -0.178367D+02 -0.358266D+01
               476           477           478           479           480 
      1   0.929114D+00 -0.304249D+01 -0.640886D+01  0.359343D+01 -0.273636D+01
      2   0.163349D+02  0.192022D+02  0.593242D+01 -0.263235D+01  0.101726D+02
      3  -0.190697D+02 -0.150296D+02  0.248287D+02 -0.149016D+02  0.824490D+01
               481           482           483           484           485 
      1   0.638050D+01 -0.499031D+01  0.203201D+01 -0.465136D+01  0.270933D+01
      2  -0.559712D+01  0.532688D+01 -0.751442D+01  0.103579D+02 -0.134414D+01
      3  -0.225307D+02  0.180719D+02 -0.110347D+02  0.895234D+01 -0.897264D+01
               486           487           488           489           490 
      1  -0.252625D+01  0.347812D+01  0.161093D+01 -0.371227D+01  0.268011D+01
      2   0.788569D+01 -0.125464D+02 -0.605545D+01  0.131599D+02 -0.594730D+01
      3   0.598812D+01  0.258051D+00 -0.536983D+01  0.238188D+01 -0.585457D+01
               491           492           493           494           495 
      1   0.185301D+01 -0.419756D+01 -0.383755D+01 -0.179319D+01  0.971846D+01
      2  -0.523523D+01  0.102290D+02  0.123887D+02  0.955415D+01 -0.321385D+02
      3  -0.763599D+01  0.334235D+01  0.250590D+01  0.620963D+01 -0.585294D+01
               496           497           498           499           500 
      1   0.621070D+00 -0.348241D+01 -0.774947D+00 -0.267017D+01 -0.101748D+01
      2   0.394297D+01  0.927598D-01  0.986565D+01  0.127100D+01 -0.745645D+00
      3   0.747660D-01 -0.891474D+01 -0.587572D+00 -0.426323D+01  0.122171D+01
               501           502           503           504           505 
      1  -0.734012D+00 -0.338073D+00  0.769126D+00  0.151199D+01  0.131699D+01
      2  -0.709982D+00  0.607150D+01 -0.906926D+00 -0.375396D+01 -0.635485D+01
      3   0.260056D+01 -0.123701D+01 -0.622615D+00  0.119152D+01  0.243473D+01
               506           507           508           509           510 
      1   0.278754D+01  0.148381D+01  0.110899D+01  0.591057D+01  0.338483D+01
      2  -0.446967D+01 -0.117208D+02 -0.965965D+00 -0.111299D+02 -0.168868D+02
      3   0.359754D+01  0.360462D+01  0.303814D+01  0.110253D+02  0.106352D+02
               511           512           513           514           515 
      1  -0.803827D+00  0.567473D+01  0.664205D+01  0.243416D+01 -0.407780D-01
      2  -0.364438D+01 -0.133824D+02 -0.344807D+02 -0.162200D+02  0.790379D+01
      3  -0.829423D-01  0.900230D+01  0.144873D+02 -0.141402D+02  0.662469D+01
               516           517           518           519           520 
      1   0.712979D+01 -0.491027D-01  0.107030D+01 -0.136639D+01  0.302992D+01
      2  -0.184437D+02  0.308305D+01 -0.751193D+01  0.599016D+01 -0.130963D+02
      3  -0.116517D+02  0.371537D+01 -0.709343D+01  0.795045D+01 -0.675061D+01
               521           522           523           524           525 
      1  -0.147447D+00  0.832948D+01 -0.153369D+01 -0.577404D+01 -0.246970D+01
      2   0.100837D+02 -0.255564D+02  0.137107D+01  0.126364D+01  0.510787D+01
      3   0.754847D+01 -0.141794D+02 -0.436794D+01 -0.141876D+02  0.138456D+01
               526           527           528           529           530 
      1  -0.185052D+01 -0.419764D+01 -0.406222D+01  0.350944D+00  0.318196D+00
      2  -0.109504D+01 -0.379671D+01  0.719534D+01  0.957626D+00  0.463599D+01
      3  -0.899357D+01 -0.198445D+02  0.635592D+01  0.393419D+00  0.575874D+01
               531           532           533           534           535 
      1  -0.816848D+00  0.130772D+01  0.258307D+00  0.187426D+01 -0.109612D+01
      2  -0.263785D+01  0.267408D+01 -0.185951D+01  0.627360D+01 -0.262418D+01
      3  -0.420806D+01  0.122376D+02 -0.897778D+01  0.166286D+01 -0.910842D+01
               536           537           538           539           540 
      1   0.835794D+00 -0.263053D+01  0.136518D+00  0.206809D+01  0.932229D+00
      2   0.250969D+01 -0.413766D+01  0.592547D+01 -0.415358D+01  0.284547D+01
      3   0.321487D+02 -0.218185D+01  0.368451D+01 -0.208114D+01  0.437654D+01
               541           542           543           544           545 
      1   0.985025D+00  0.686354D-01 -0.361135D+01  0.366050D+00  0.271998D+01
      2  -0.214269D+01  0.266140D+00  0.368285D+01 -0.982960D+00 -0.532630D+00
      3   0.514649D+01 -0.582299D+01 -0.170430D+01  0.161567D+01 -0.108386D+02
               546           547           548           549           550 
      1  -0.365017D+01 -0.128378D+01 -0.222475D+01 -0.175386D+01  0.653333D+01
      2   0.301179D+01  0.584712D+00  0.301223D+01  0.199501D+01 -0.151425D+01
      3   0.319799D+00 -0.116024D+01  0.236417D+01 -0.232504D+01 -0.249522D+02
               551           552           553           554           555 
      1  -0.480809D+01  0.747357D+01 -0.439199D+01  0.719065D+01 -0.530688D+01
      2   0.517756D+00 -0.247969D+01  0.722825D+00 -0.274037D+01  0.767630D+00
      3   0.192351D+02 -0.834440D+01  0.165846D+02 -0.200685D+02  0.796197D+01
               556           557           558           559           560 
      1   0.640431D+01 -0.512590D+01  0.686574D+01 -0.405301D+01  0.435293D+00
      2  -0.478807D+01  0.327366D+01 -0.270583D+01  0.668115D+01 -0.213945D+01
      3  -0.130964D+02  0.144959D+02 -0.113221D+02 -0.874175D+01  0.575382D+01
               561           562           563           564           565 
      1   0.800364D+01 -0.117077D+00 -0.315580D+01 -0.382812D+00  0.594784D+01
      2  -0.747045D+01  0.216152D+00  0.311268D+01  0.111891D+01 -0.951255D+01
      3   0.732486D+01  0.316384D+01 -0.147447D+01 -0.283829D+01  0.833924D+01
               566           567 
      1  -0.200302D+01 -0.239463D+02
      2   0.699428D+01  0.214379D+02
      3  -0.842179D+01 -0.151829D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103815D+03 -0.137744D+02  0.292231D+02 -0.127199D+02  0.305175D+02
      2   0.617608D+02  0.170765D+02 -0.881434D+01  0.762850D+01 -0.187374D+02
      3   0.420540D+02 -0.330215D+01 -0.204088D+02  0.509141D+01 -0.117801D+02
      4  -0.923373D+01  0.132814D+02  0.639903D+01  0.229696D+02 -0.976456D+01
      5   0.403114D+02  0.756869D+01  0.136045D+02  0.631179D+00 -0.234001D+01
      6   0.166212D-01 -0.514383D+01 -0.252867D+01 -0.497737D+01  0.257168D+01
                 6             7             8             9            10 
      1   0.106626D+02 -0.171003D+01  0.566140D+01  0.256186D+02 -0.759816D+01
      2   0.481374D+01  0.928359D+01  0.761244D+01 -0.860359D+01  0.726216D+01
      3  -0.154764D+02 -0.757356D+01 -0.132738D+02 -0.170150D+02  0.335999D+00
      4   0.320195D+01 -0.491231D+01 -0.433662D+01  0.333989D+02  0.954937D+01
      5   0.336769D+02  0.258295D+02  0.346393D+02 -0.472098D+01 -0.166775D+01
      6  -0.166423D+00  0.316177D+01  0.282948D+01 -0.122283D+02  0.265302D+01
                11            12            13            14            15 
      1   0.817210D+01 -0.652858D+01  0.152773D+02 -0.413118D+02  0.100099D+02
      2  -0.122516D+01  0.305289D+01 -0.242384D+01  0.228712D+02 -0.794927D+01
      3  -0.694693D+01  0.347569D+01 -0.128535D+02  0.184405D+02 -0.206064D+01
      4  -0.289421D+02  0.801914D+01 -0.492668D+02  0.455105D+01 -0.221761D+02
      5   0.125790D+02 -0.196748D+02  0.139276D+02 -0.197759D+02 -0.435149D+02
      6   0.265509D+01 -0.215785D+01 -0.142352D+01 -0.101442D+01 -0.751673D+01
                16            17            18            19            20 
      1   0.440042D+01  0.968013D+01 -0.318065D+02  0.734190D+02  0.543825D+02
      2  -0.779540D+01 -0.940597D+01  0.220610D+02 -0.499405D+02 -0.425678D+02
      3   0.339497D+01 -0.274151D+00  0.974551D+01 -0.234785D+02 -0.118147D+02
      4   0.650069D+01 -0.948160D+01 -0.297002D+02  0.423166D+02  0.778485D+02
      5  -0.485517D+02 -0.333416D+02  0.556376D+01 -0.499127D+01  0.210039D+01
      6  -0.633989D+01 -0.669702D+01  0.984912D+00 -0.204103D+01 -0.569270D+01
                21            22            23            24            25 
      1   0.272757D+01  0.158374D+02  0.315118D+02 -0.169707D+01 -0.489159D+01
      2  -0.179826D+01 -0.561286D+01 -0.107254D+02  0.165792D+01  0.289289D+01
      3  -0.929315D+00 -0.102245D+02 -0.207864D+02  0.391507D-01  0.199870D+01
      4   0.641636D+01  0.285160D+02  0.952405D+02  0.141531D+02  0.502781D+00
      5   0.154873D+02 -0.384884D+01  0.119861D+02  0.178489D+02  0.310466D+02
      6  -0.304738D+00  0.108748D+01 -0.435476D+01  0.791395D+01 -0.506913D+00
                26            27            28            29            30 
      1   0.906997D+00  0.158772D+02 -0.754027D+01  0.252882D+02 -0.389462D-01
      2  -0.806509D+00 -0.173101D+02  0.967944D+00 -0.232034D+02 -0.205524D+01
      3  -0.100488D+00  0.143285D+01  0.657233D+01 -0.208482D+01  0.209419D+01
      4   0.124024D+02  0.110575D+02  0.456652D+01  0.395016D+02  0.326326D+00
      5   0.161596D+02  0.641739D+01 -0.623983D+01 -0.304969D+01 -0.160863D+02
      6   0.760247D+01  0.141931D+01 -0.890772D+01 -0.886097D+01 -0.137561D+01
                31            32            33            34            35 
      1   0.506926D+02  0.488273D+02  0.212887D+00  0.774504D+01 -0.254854D+01
      2  -0.481857D+02 -0.485764D+02  0.174211D+01 -0.985790D+01 -0.262009D+01
      3  -0.250691D+01 -0.250909D+00 -0.195500D+01  0.211285D+01  0.516864D+01
      4   0.323791D+02  0.201218D+02  0.314416D+00 -0.869987D+01  0.249536D+01
      5  -0.983257D+01 -0.319578D+01  0.116299D+01  0.124297D+02  0.168090D+02
      6  -0.965635D+01 -0.729947D+01 -0.667030D+01  0.192386D+01  0.282769D+01
                36            37            38            39            40 
      1   0.392678D+01 -0.410097D+02  0.109482D+02 -0.130343D+02  0.535206D+02
      2  -0.115010D+02  0.445571D+02  0.281696D+01  0.128568D+02 -0.258809D+02
      3   0.757425D+01 -0.354737D+01 -0.137651D+02  0.177571D+00 -0.276397D+02
      4   0.144419D+02  0.148276D+02  0.159081D+02  0.143986D+02  0.274428D+02
      5   0.432492D+01 -0.701852D+01  0.229070D+02 -0.279544D+02  0.279240D+02
      6  -0.432055D+01  0.676698D+01  0.745130D+01 -0.742899D+01  0.518363D+01
                41            42            43            44            45 
      1   0.858301D+01  0.276829D+02 -0.129408D+02  0.303824D+02 -0.449067D+02
      2   0.915519D+00 -0.228281D+02  0.122397D+02 -0.255988D+02  0.322923D+02
      3  -0.949853D+01 -0.485477D+01  0.701099D+00 -0.478353D+01  0.126145D+02
      4   0.228767D+01 -0.110196D+02  0.353760D+02  0.341580D+01 -0.203837D+02
      5  -0.141470D+02  0.182494D+02 -0.535204D+02 -0.160983D+02  0.213892D+02
      6  -0.524004D+01  0.441732D+01 -0.197638D+02 -0.628538D+01  0.155158D+02
                46            47            48            49            50 
      1   0.134046D+02 -0.217725D+02  0.255247D+02 -0.245176D+02 -0.374960D+02
      2  -0.163488D+02 -0.698121D+01 -0.431894D+01  0.696827D-01  0.160830D+02
      3   0.294416D+01  0.287537D+02 -0.212058D+02  0.244480D+02  0.214130D+02
      4  -0.349384D+02 -0.493423D+02  0.447920D+01 -0.577488D+02 -0.173457D+02
      5   0.156222D+02  0.388415D+01  0.208813D+02  0.884469D+01  0.267837D+02
      6   0.154594D+02  0.920826D+01  0.168466D+02  0.145167D+02  0.110935D+02
                51            52            53            54            55 
      1  -0.540766D+01  0.483499D+01 -0.215470D+02  0.441355D+02 -0.228085D+02
      2   0.420083D+01  0.620353D+01  0.131812D+02 -0.286334D+02 -0.632728D+01
      3   0.120682D+01 -0.110385D+02  0.836574D+01 -0.155020D+02  0.291358D+02
      4   0.200957D+02 -0.196502D+02 -0.608441D+01  0.949280D+01 -0.506517D+02
      5  -0.752452D+01  0.397113D+02  0.428331D+01 -0.267858D+02  0.115629D+02
      6  -0.864802D+01  0.224353D+02 -0.401801D+01 -0.537265D+01 -0.684554D+01
                56            57            58            59            60 
      1  -0.614424D+02  0.115390D+02 -0.803107D+02  0.106091D+02 -0.296032D+02
      2   0.382487D+02 -0.187719D+02  0.488810D+02 -0.149948D+02  0.156329D+02
      3   0.231936D+02  0.723290D+01  0.314297D+02  0.438566D+01  0.139703D+02
      4  -0.731177D+01 -0.150164D+02  0.631380D+01  0.142217D+02  0.295329D+02
      5  -0.242704D+02  0.410543D+02 -0.278072D+02  0.334637D+02  0.254163D+02
      6  -0.143717D+01  0.378635D+01  0.179859D+01  0.374666D+01  0.127018D+02
                61            62            63            64            65 
      1   0.295030D+02 -0.240445D+02  0.505072D+02  0.153482D+02 -0.280190D+01
      2  -0.271945D+02  0.158588D+02 -0.209541D+02 -0.155761D+02  0.503681D+01
      3  -0.230846D+01  0.818564D+01 -0.295531D+02  0.227952D+00 -0.223491D+01
      4  -0.683106D+01  0.298851D+02  0.336167D+02  0.672368D+01 -0.426793D+02
      5   0.523827D+02  0.246382D+02 -0.682794D+00  0.654965D+01 -0.693406D+01
      6   0.795641D+01  0.101363D+02  0.464333D+01  0.559256D+01  0.605247D+01
                66            67            68            69            70 
      1   0.426034D+01  0.439364D+01 -0.158318D+02 -0.145791D+01  0.323344D+01
      2  -0.174181D+01 -0.352483D+01  0.179897D+02  0.555145D+00 -0.254036D+01
      3  -0.251853D+01 -0.868807D+00 -0.215793D+01  0.902766D+00 -0.693078D+00
      4  -0.709989D+01  0.108265D+02  0.236885D+02  0.201608D+01  0.181447D+01
      5   0.181212D+02  0.341550D+01  0.315239D+01  0.448579D+01  0.187607D+01
      6   0.196340D+00  0.256026D+01  0.628999D+00  0.554490D+01 -0.572198D+00
                71            72            73            74            75 
      1   0.812466D-01 -0.349954D+01 -0.594124D+02  0.871282D+00  0.316456D-01
      2   0.434494D-02  0.107798D+01  0.314598D+02 -0.475559D+01  0.426419D-01
      3  -0.855916D-01  0.242156D+01  0.279526D+02  0.388430D+01 -0.742876D-01
      4  -0.107584D+01  0.409969D+01 -0.322659D+01 -0.286696D+02 -0.142889D-01
      5   0.188092D+01  0.148713D+01  0.664343D-01 -0.322340D-02 -0.261931D+02
      6   0.732396D+01  0.999429D+00  0.259196D-01  0.587260D-01 -0.497109D+01
                76            77            78            79            80 
      1  -0.288755D+01 -0.105732D+02 -0.124011D+00  0.109054D+00 -0.945269D-01
      2   0.687767D+01  0.883485D+01  0.687779D-01 -0.702493D-01  0.121112D-01
      3  -0.399011D+01  0.173833D+01  0.552327D-01 -0.388051D-01  0.824156D-01
      4  -0.163631D+02  0.157986D+02  0.356766D-01 -0.130473D+00  0.954195D-01
      5  -0.551908D-01  0.856966D-01  0.274993D+01  0.690826D+01  0.176032D+01
      6   0.160144D-01  0.756902D-01  0.255499D+01  0.257716D+01  0.626393D+01
                81            82            83            84            85 
      1  -0.224559D+02 -0.363708D+02 -0.645883D+02 -0.129678D+02  0.511995D+01
      2  -0.147578D+01  0.307490D+02  0.572667D+02  0.784191D+01 -0.157887D+01
      3   0.239317D+02  0.562180D+01  0.732162D+01  0.512592D+01 -0.354108D+01
      4  -0.393547D+00 -0.428033D+02 -0.597410D+00 -0.308172D+01  0.190515D+02
      5   0.360540D-01 -0.690784D+01 -0.190681D+01  0.250473D+02  0.197039D+01
      6   0.274737D-01  0.836509D+01  0.214321D+01  0.117112D+02 -0.520362D+01
                86            87            88            89            90 
      1  -0.931943D+01 -0.855981D+00  0.254667D+00  0.947030D+00 -0.856188D+01
      2   0.115101D+02  0.238343D+00 -0.206663D+01 -0.280553D+01  0.450157D+01
      3  -0.219070D+01  0.617638D+00  0.181197D+01  0.185850D+01  0.406031D+01
      4   0.205201D+01  0.637123D+00  0.320392D+01  0.291603D+01 -0.228904D+01
      5  -0.333868D+00 -0.204077D+01  0.946144D+00  0.195425D+01  0.958004D-01
      6   0.227431D+01  0.375245D+01  0.511476D+01  0.886447D+01  0.194910D+01
                91            92            93            94            95 
      1  -0.573405D+01  0.191929D+02  0.485663D+01 -0.896913D+02 -0.977715D+02
      2  -0.566110D+01 -0.177881D+02 -0.239429D+01  0.769100D+02  0.709972D+02
      3   0.113951D+02 -0.140481D+01 -0.246234D+01  0.127812D+02  0.267743D+02
      4   0.277263D+02 -0.489645D+02 -0.355965D+01 -0.944628D+02 -0.153999D+03
      5   0.405167D+01 -0.317385D+01 -0.283961D+02 -0.901414D+01 -0.143302D+02
      6  -0.714779D+01  0.204443D+01 -0.803929D+01  0.853148D+01  0.517415D+01
                96            97            98            99           100 
      1  -0.977812D+01 -0.183373D+02 -0.141728D+02 -0.260875D+02 -0.212473D+02
      2   0.776320D+01  0.133318D+02  0.740564D+01  0.126604D+02  0.198944D+02
      3   0.201491D+01  0.500549D+01  0.676711D+01  0.134271D+02  0.135289D+01
      4  -0.178814D+02 -0.127895D+02 -0.197387D+02 -0.273795D+02 -0.276945D+02
      5  -0.234905D+02 -0.910433D+01 -0.262082D+02 -0.107116D+02 -0.697210D+00
      6  -0.742863D+00  0.500826D+01  0.130357D+02  0.229460D+01 -0.397468D+00
               101           102           103           104           105 
      1  -0.195257D+02  0.538746D+00  0.277449D+02  0.470738D+02  0.934480D+01
      2   0.112524D+02 -0.293216D+01 -0.399074D+02 -0.383290D+02 -0.525610D+01
      3   0.827326D+01  0.239341D+01  0.121624D+02 -0.874473D+01 -0.408870D+01
      4  -0.226868D+02 -0.329637D+01  0.524891D+02  0.123137D+02  0.148828D+00
      5  -0.120941D+01 -0.129763D+02  0.966000D+01  0.621872D+00 -0.489020D+01
      6  -0.305747D+01  0.856701D+01 -0.962708D+01  0.440040D+00 -0.778535D+01
               106           107           108           109           110 
      1   0.933763D+01  0.192327D+01 -0.424317D+01  0.218131D+02  0.114522D+02
      2  -0.112474D+02  0.256254D+01 -0.924530D+00 -0.113507D+02 -0.185359D+02
      3   0.190979D+01 -0.448581D+01  0.516770D+01 -0.104624D+02  0.708376D+01
      4   0.554514D+01 -0.973183D+01  0.124049D+02 -0.971484D+01  0.377126D+02
      5  -0.995676D+01  0.813851D+01 -0.161479D+01  0.127775D+02 -0.279901D+01
      6   0.749853D+01 -0.125553D+02  0.203131D+00 -0.111506D+02  0.246969D+01
               111           112           113           114           115 
      1   0.107776D+02 -0.383691D+01 -0.174444D+02  0.300912D+01  0.106222D+02
      2  -0.555049D+01 -0.424293D+00  0.285741D+02 -0.785424D+01 -0.788074D+01
      3  -0.522714D+01  0.426120D+01 -0.111297D+02  0.484512D+01 -0.274144D+01
      4  -0.818786D+01  0.724522D+01 -0.351232D+02  0.994447D+01 -0.704495D+01
      5   0.109957D+02 -0.415687D+01  0.888207D+01 -0.462152D+01  0.140660D+02
      6  -0.787023D+01  0.421357D+01 -0.114922D+02  0.104844D+02 -0.115083D+02
               116           117           118           119           120 
      1   0.166107D+02  0.221298D+00  0.100295D+02 -0.321436D+02  0.647623D+01
      2  -0.205817D+02  0.967566D+00 -0.338467D+02  0.555695D+01 -0.207229D+02
      3   0.397106D+01 -0.118886D+01  0.238173D+02  0.265866D+02  0.142467D+02
      4   0.303744D+02 -0.169044D+02 -0.431649D+02 -0.448850D+02 -0.881378D+01
      5  -0.124796D+02  0.280735D+02 -0.250795D+00 -0.167565D+02  0.207973D+02
      6   0.174831D+02 -0.271609D+02 -0.103572D+00 -0.153122D+02  0.177917D+02
               121           122           123           124           125 
      1  -0.257842D+02 -0.198832D+02 -0.220169D+02  0.702352D+01 -0.211773D+02
      2   0.666557D+01  0.533625D+01  0.219846D+02 -0.185455D+02  0.269248D+02
      3   0.191186D+02  0.145469D+02  0.322341D-01  0.115220D+02 -0.574752D+01
      4  -0.391081D+02 -0.134523D+02  0.218075D+01 -0.903526D+01  0.283916D+01
      5  -0.166699D+02  0.802145D+01 -0.439461D+01  0.205700D+02 -0.376036D+01
      6  -0.119103D+02  0.138372D+02 -0.137427D+01  0.185914D+02 -0.481660D+01
               126           127           128           129           130 
      1   0.336996D+02  0.129139D+02  0.627568D+02 -0.813450D+01  0.900295D+02
      2  -0.109976D+02  0.558423D+01 -0.381610D+02  0.134831D+02 -0.568709D+02
      3  -0.227020D+02 -0.184982D+02 -0.245959D+02 -0.534863D+01 -0.331586D+02
      4   0.120747D+02  0.613090D+02 -0.783971D+00  0.226810D+02 -0.250880D+02
      5  -0.184902D+02 -0.776233D+01  0.279167D+02 -0.320962D+02  0.327057D+02
      6  -0.235146D+02  0.971159D+01  0.772767D+00 -0.260776D+01 -0.622848D+01
               131           132           133           134           135 
      1  -0.177232D+02  0.414791D+02 -0.119048D+02  0.311942D+02 -0.402435D+02
      2   0.102832D+02 -0.254145D+02  0.150301D+02 -0.190544D+02  0.912635D+01
      3   0.743999D+01 -0.160646D+02 -0.312524D+01 -0.121398D+02  0.311171D+02
      4  -0.236091D+02 -0.351045D+02  0.153321D+02 -0.335009D+02 -0.431557D+02
      5  -0.397487D+02 -0.275909D+02 -0.451423D+02 -0.343485D+02  0.116843D+02
      6  -0.135846D+02 -0.189555D+02 -0.889652D+01 -0.186659D+02 -0.309851D+01
               136           137           138           139           140 
      1   0.359652D+02  0.362856D+02 -0.751904D+01  0.448108D+02  0.354255D-01
      2  -0.859890D+01 -0.260296D+02  0.138301D+02 -0.304912D+02  0.142320D+02
      3  -0.273663D+02 -0.102560D+02 -0.631110D+01 -0.143195D+02 -0.142675D+02
      4   0.405866D+02 -0.464821D+01  0.184922D+02 -0.148154D+02 -0.740662D+01
      5  -0.222843D+00  0.318541D+02 -0.305730D+02  0.334538D+02 -0.419768D+02
      6   0.164468D+02 -0.544170D+01  0.594190D+01 -0.115008D+02 -0.942704D+01
               141           142           143           144           145 
      1   0.324263D+02 -0.472265D+01  0.252134D+02 -0.267052D+02  0.151633D+02
      2  -0.117398D+02  0.139722D+02 -0.641642D+01  0.494785D+01 -0.154565D+02
      3  -0.206865D+02 -0.924950D+01 -0.187970D+02  0.217574D+02  0.293218D+00
      4  -0.377096D+02  0.121289D+02 -0.257116D+02 -0.205532D+02  0.698610D+01
      5  -0.998853D+01 -0.299984D+02 -0.135318D+02 -0.288199D+00 -0.658596D+01
      6  -0.300526D+02  0.200687D+01 -0.213325D+02 -0.108537D+02 -0.568909D+01
               146           147           148           149           150 
      1  -0.264102D+01 -0.439624D+01  0.451116D+01 -0.158985D+02  0.149493D+01
      2   0.497380D+01  0.175324D+01 -0.355985D+01  0.180047D+02 -0.553477D+00
      3  -0.233278D+01  0.264299D+01 -0.951310D+00 -0.210622D+01 -0.941450D+00
      4  -0.426850D+02  0.703591D+01  0.107497D+02  0.238134D+02 -0.204606D+01
      5   0.685306D+01  0.180722D+02 -0.336408D+01 -0.319895D+01  0.453492D+01
      6  -0.604570D+01  0.184373D+00 -0.254907D+01 -0.644283D+00  0.554656D+01
               151           152           153           154           155 
      1  -0.329117D+01  0.580619D-02 -0.348498D+01 -0.771922D+01  0.251268D+02
      2   0.253985D+01 -0.447394D-01  0.107381D+01  0.108839D+01 -0.230668D+02
      3   0.751317D+00  0.389332D-01  0.241117D+01  0.663083D+01 -0.205996D+01
      4  -0.174052D+01  0.937842D+00  0.408847D+01  0.442260D+01  0.396218D+02
      5   0.187820D+01  0.187045D+01 -0.149324D+01  0.621549D+01  0.309436D+01
      6  -0.571230D+00  0.732019D+01 -0.100933D+01  0.896853D+01  0.878019D+01
               156           157           158           159           160 
      1   0.100704D+00  0.507325D+02  0.488057D+02 -0.152201D+00 -0.758412D+01
      2   0.204823D+01 -0.481930D+02 -0.485198D+02 -0.180588D+01  0.980213D+01
      3  -0.214894D+01 -0.253950D+01 -0.285860D+00  0.195808D+01 -0.221801D+01
      4  -0.241263D+00  0.322562D+02  0.201688D+02 -0.296668D+00  0.833609D+01
      5  -0.161444D+02  0.990332D+01  0.322345D+01  0.113028D+01  0.125445D+02
      6  -0.145344D+01  0.970804D+01  0.728873D+01 -0.676868D+01  0.192980D+01
               161           162           163           164           165 
      1   0.229069D+01  0.404634D+01 -0.411551D+02  0.110177D+02  0.130660D+02
      2   0.269969D+01 -0.114964D+02  0.446038D+02  0.270600D+01 -0.129134D+02
      3  -0.499038D+01  0.745006D+01 -0.344866D+01 -0.137237D+02 -0.152578D+00
      4  -0.225655D+01  0.144217D+02  0.148364D+02  0.157292D+02 -0.143049D+02
      5   0.167733D+02 -0.436900D+01  0.711551D+01 -0.227734D+02 -0.278453D+02
      6   0.286873D+01  0.432160D+01 -0.668552D+01 -0.744971D+01 -0.737962D+01
               166           167           168           169           170 
      1   0.534639D+02  0.861599D+01 -0.277138D+02  0.131417D+02 -0.304310D+02
      2  -0.258328D+02  0.929758D+00  0.228307D+02 -0.123161D+02  0.256469D+02
      3  -0.276311D+02 -0.954575D+01  0.488311D+01 -0.825611D+00  0.478416D+01
      4   0.273746D+02  0.237013D+01  0.110254D+02 -0.353679D+02 -0.345666D+01
      5  -0.279638D+02  0.141765D+02  0.181812D+02 -0.534160D+02 -0.161659D+02
      6  -0.520136D+01  0.526517D+01  0.430870D+01 -0.197169D+02 -0.637586D+01
               171           172           173           174           175 
      1  -0.447991D+02 -0.227987D+02 -0.614751D+02 -0.118313D+02 -0.799756D+02
      2   0.321326D+02 -0.633028D+01  0.382770D+02  0.188649D+02  0.486860D+02
      3   0.126665D+02  0.291290D+02  0.231981D+02 -0.703365D+01  0.312896D+02
      4  -0.204690D+02 -0.506241D+02 -0.739394D+01  0.150053D+02  0.595304D+01
      5  -0.215381D+02 -0.117602D+02  0.242951D+02  0.409350D+02  0.278213D+02
      6  -0.155830D+02  0.681450D+01  0.145561D+01  0.378954D+01 -0.181033D+01
               176           177           178           179           180 
      1   0.102890D+02  0.296881D+02 -0.295140D+02  0.237699D+02  0.503646D+02
      2  -0.148739D+02 -0.155806D+02  0.271177D+02 -0.157370D+02 -0.208981D+02
      3   0.458486D+01 -0.141075D+02  0.239631D+01 -0.803295D+01 -0.294666D+02
      4   0.145722D+02 -0.295433D+02  0.651149D+01 -0.297596D+02  0.336758D+02
      5  -0.335275D+02  0.256819D+02  0.522670D+02  0.247101D+02  0.920011D+00
      6  -0.372469D+01  0.127351D+02  0.795735D+01  0.101406D+02 -0.456128D+01
               181           182           183           184           185 
      1  -0.759594D+01  0.833292D+01  0.670660D+01  0.158053D+02 -0.416721D+02
      2   0.718754D+01 -0.132275D+01 -0.317072D+01 -0.266848D+01  0.231125D+02
      3   0.408405D+00 -0.701017D+01 -0.353588D+01 -0.131369D+02  0.185596D+02
      4   0.956794D+01 -0.290299D+02 -0.811908D+01 -0.496414D+02  0.477477D+01
      5   0.188510D+01 -0.126704D+02 -0.195199D+02 -0.139972D+02  0.197541D+02
      6  -0.263961D+01 -0.265959D+01 -0.224154D+01  0.138866D+01  0.102310D+01
               186           187           188           189           190 
      1  -0.100217D+02 -0.525200D+01 -0.889636D+01 -0.317630D+02  0.725196D+02
      2   0.794582D+01  0.808060D+01  0.913573D+01  0.220731D+02 -0.495350D+02
      3   0.207593D+01 -0.282860D+01 -0.239366D+00  0.968995D+01 -0.229845D+02
      4   0.221578D+02 -0.550506D+01  0.855069D+01 -0.296360D+02  0.430580D+02
      5  -0.434464D+02 -0.485538D+02 -0.333170D+02 -0.569020D+01  0.497386D+01
      6  -0.750105D+01 -0.631131D+01 -0.670680D+01 -0.981385D+00  0.206883D+01
               191           192           193           194           195 
      1   0.549056D+02 -0.274783D+01  0.151930D+02  0.320852D+02  0.183673D+01
      2  -0.427112D+02  0.179283D+01 -0.535436D+01 -0.110737D+02 -0.177183D+01
      3  -0.121944D+02  0.954996D+00 -0.983865D+01 -0.210114D+02 -0.648993D-01
      4   0.771308D+02 -0.639277D+01  0.289339D+02  0.946802D+02 -0.141862D+02
      5  -0.206188D+01  0.152852D+02  0.402636D+01 -0.119819D+02  0.176980D+02
      6   0.570777D+01 -0.298824D+00 -0.109511D+01  0.428548D+01  0.790258D+01
               196           197           198           199           200 
      1   0.481252D+01 -0.728210D+00  0.159532D+02 -0.103758D+03 -0.137385D+02
      2  -0.288766D+01  0.668378D+00 -0.173567D+02  0.617922D+02  0.171379D+02
      3  -0.192486D+01  0.598321D-01  0.140354D+01  0.419655D+02 -0.339935D+01
      4  -0.341098D+00 -0.124153D+02  0.110139D+02 -0.912538D+01  0.131231D+02
      5   0.310676D+02  0.160746D+02 -0.641209D+01 -0.404715D+02 -0.761893D+01
      6  -0.510731D+00  0.757836D+01 -0.141569D+01  0.128670D-01  0.512775D+01
               201           202           203           204           205 
      1  -0.293621D+02 -0.127356D+02  0.306705D+02 -0.108111D+02  0.972415D+00
      2   0.885176D+01  0.765461D+01 -0.188209D+02 -0.478055D+01 -0.895205D+01
      3   0.205103D+02  0.508101D+01 -0.118496D+02  0.155916D+02  0.797964D+01
      4  -0.645507D+01  0.231291D+02 -0.975247D+01 -0.299152D+01  0.518911D+01
      5   0.135748D+02 -0.817813D+00  0.254509D+01  0.336877D+02  0.256893D+02
      6  -0.251247D+01  0.502502D+01 -0.255836D+01 -0.114959D+00  0.312445D+01
               206           207           208           209           210 
      1  -0.550321D+01  0.254783D+02  0.129691D+02 -0.214520D+02 -0.255042D+02
      2  -0.770421D+01 -0.852366D+01 -0.161310D+02 -0.709075D+01  0.432277D+01
      3   0.132074D+02 -0.169546D+02  0.316195D+01  0.285428D+02  0.211814D+02
      4   0.399955D+01  0.333109D+02 -0.345165D+02 -0.497109D+02 -0.455464D+01
      5   0.345726D+02  0.472337D+01 -0.155385D+02 -0.396459D+01  0.207510D+02
      6   0.286686D+01  0.122834D+02 -0.155059D+02 -0.922773D+01  0.168561D+02
               211           212           213           214           215 
      1  -0.244307D+02 -0.373781D+02  0.532233D+01 -0.511446D+01  0.218186D+02
      2   0.790256D-02  0.159719D+02 -0.424221D+01 -0.607283D+01 -0.132608D+02
      3   0.244228D+02  0.214063D+02 -0.108012D+01  0.111873D+02 -0.855780D+01
      4  -0.575838D+02 -0.174877D+02 -0.200501D+02  0.199320D+02  0.575057D+01
      5  -0.880476D+01 -0.267110D+02 -0.749855D+01  0.396692D+02  0.426814D+01
      6  -0.145171D+02 -0.111070D+02 -0.856540D+01  0.224496D+02 -0.400409D+01
               216           217           218           219           220 
      1   0.440602D+02  0.357061D+02  0.368132D+02  0.761580D+01  0.447840D+02
      2  -0.286656D+02 -0.849737D+01 -0.261954D+02 -0.138484D+02 -0.304497D+02
      3  -0.153946D+02 -0.272087D+02 -0.106178D+02  0.623256D+01 -0.143343D+02
      4   0.952458D+01  0.409695D+02 -0.513424D+01 -0.183431D+02 -0.148283D+02
      5   0.268030D+02  0.250958D+00 -0.317567D+02 -0.306177D+02 -0.334346D+02
      6   0.536122D+01 -0.163954D+02  0.551042D+01  0.582067D+01  0.115868D+02
               221           222           223           224           225 
      1  -0.102903D-01 -0.323388D+02  0.494432D+01 -0.250691D+02 -0.267419D+02
      2   0.143275D+02  0.116711D+02 -0.140741D+02  0.634642D+01  0.498033D+01
      3  -0.143172D+02  0.206677D+02  0.912983D+01  0.187227D+02  0.217615D+02
      4  -0.741763D+01  0.378019D+02 -0.118717D+02  0.257074D+02 -0.206559D+02
      5   0.421164D+02 -0.101729D+02 -0.300422D+02 -0.136633D+02  0.182605D+00
      6   0.935921D+01 -0.301031D+02  0.188234D+01 -0.212761D+02  0.108529D+02
               226           227           228           229           230 
      1   0.132087D+02  0.623341D+02  0.847098D+01  0.902883D+02 -0.179187D+02
      2   0.551954D+01 -0.380038D+02 -0.135306D+02 -0.569376D+02  0.102940D+02
      3  -0.187282D+02 -0.243303D+02  0.505965D+01 -0.333507D+02  0.762465D+01
      4   0.607099D+02 -0.358692D+00 -0.226134D+02 -0.251901D+02 -0.234715D+02
      5   0.802218D+01 -0.278533D+02 -0.319236D+02 -0.323684D+02  0.395172D+02
      6  -0.959096D+01 -0.821916D+00 -0.250788D+01  0.622282D+01  0.135702D+02
               231           232           233           234           235 
      1  -0.411514D+02  0.118762D+02 -0.309689D+02 -0.401243D+02  0.102169D+02
      2   0.252711D+02 -0.149834D+02  0.189254D+02  0.899867D+01 -0.339050D+02
      3   0.158804D+02  0.310716D+01  0.120435D+02  0.311257D+02  0.236881D+02
      4   0.348884D+02 -0.150425D+02  0.333603D+02 -0.432930D+02 -0.431638D+02
      5  -0.277711D+02 -0.450989D+02 -0.345273D+02 -0.119558D+02  0.126577D+00
      6  -0.189205D+02 -0.895985D+01 -0.186579D+02  0.306030D+01  0.246330D-01
               236           237           238           239           240 
      1  -0.322645D+02 -0.649587D+01 -0.263170D+02 -0.193843D+02  0.220208D+02
      2   0.565189D+01  0.207379D+02  0.678982D+01  0.502832D+01 -0.219541D+02
      3   0.266127D+02 -0.142421D+02  0.195272D+02  0.143560D+02 -0.666730D-01
      4  -0.446441D+02  0.876514D+01 -0.386067D+02 -0.140136D+02 -0.225620D+01
      5   0.167582D+02  0.207688D+02  0.167025D+02 -0.808971D+01 -0.441798D+01
      6   0.152904D+02  0.177287D+02  0.119002D+02 -0.138225D+02 -0.129327D+01
               241           242           243           244           245 
      1  -0.677912D+01  0.208104D+02  0.335844D+02 -0.558518D+01  0.191338D+02
      2   0.184095D+02 -0.267941D+02 -0.108445D+02 -0.576359D+01 -0.177619D+02
      3  -0.116304D+02  0.598374D+01 -0.227399D+02  0.113488D+02 -0.137196D+01
      4   0.863330D+01 -0.253712D+01  0.121629D+02  0.276298D+02 -0.488383D+02
      5   0.205117D+02 -0.364353D+01  0.186601D+02 -0.411089D+01  0.311872D+01
      6   0.185661D+02 -0.476343D+01  0.236385D+02  0.710378D+01 -0.201932D+01
               246           247           248           249           250 
      1  -0.488207D+01 -0.895016D+02 -0.979082D+02  0.980690D+01  0.183123D+02
      2   0.237077D+01  0.767728D+02  0.711469D+02 -0.780531D+01 -0.133043D+02
      3   0.251130D+01  0.127288D+02  0.267613D+02 -0.200159D+01 -0.500797D+01
      4   0.352815D+01 -0.945207D+02 -0.154144D+03  0.177734D+02  0.127694D+02
      5  -0.283832D+02  0.897009D+01  0.141941D+02 -0.234702D+02 -0.905271D+01
      6  -0.811625D+01 -0.860650D+01 -0.518366D+01 -0.777982D+00  0.502707D+01
               251           252           253           254           255 
      1   0.141528D+02 -0.259915D+02 -0.212261D+02 -0.194134D+02 -0.507296D+00
      2  -0.739851D+01  0.126405D+02  0.198739D+02  0.112481D+02  0.293763D+01
      3  -0.675428D+01  0.133509D+02  0.135223D+01  0.816532D+01 -0.243034D+01
      4   0.197322D+02 -0.273176D+02 -0.274586D+02 -0.229512D+02  0.326309D+01
      5  -0.261516D+02  0.106636D+02  0.756363D+00  0.118195D+01 -0.130144D+02
      6   0.130126D+02 -0.224468D+01  0.337376D+00  0.307790D+01  0.860103D+01
               256           257           258           259           260 
      1   0.280251D+02  0.466768D+02 -0.919087D+01 -0.938389D+01 -0.187842D+01
      2  -0.399328D+02 -0.381786D+02  0.517399D+01  0.112794D+02 -0.259103D+01
      3   0.119077D+02 -0.849820D+01  0.401688D+01 -0.189553D+01  0.446946D+01
      4   0.522062D+02  0.127374D+02 -0.136469D+00 -0.550786D+01  0.965793D+01
      5  -0.959841D+01 -0.640100D+00 -0.489947D+01 -0.100205D+02  0.818929D+01
      6   0.964128D+01 -0.501742D+00 -0.764336D+01  0.751402D+01 -0.125507D+02
               261           262           263           264           265 
      1  -0.432296D+01  0.218514D+02  0.113642D+02 -0.107578D+02 -0.392804D+01
      2  -0.880979D+00 -0.113653D+02 -0.184976D+02  0.552168D+01 -0.388129D+00
      3   0.520394D+01 -0.104861D+02  0.713343D+01  0.523613D+01  0.431617D+01
      4   0.124475D+02 -0.982884D+01  0.377817D+02  0.817606D+01  0.738712D+01
      5   0.159315D+01 -0.127558D+02  0.279963D+01  0.109803D+02  0.408632D+01
      6  -0.237801D+00  0.111409D+02 -0.249307D+01 -0.788936D+01 -0.424161D+01
               266           267           268           269           270 
      1  -0.173446D+02 -0.312526D+01 -0.107034D+02 -0.165555D+02  0.171020D+00
      2   0.285210D+02  0.789377D+01  0.791246D+01  0.205990D+02  0.981568D+00
      3  -0.111764D+02 -0.476851D+01  0.279095D+01 -0.404350D+01 -0.115259D+01
      4  -0.351855D+02 -0.989412D+01  0.713764D+01 -0.304140D+02 -0.169014D+02
      5  -0.885632D+01 -0.466608D+01  0.140448D+02 -0.124895D+02 -0.280707D+02
      6   0.114918D+02  0.104952D+02 -0.115093D+02  0.174865D+02  0.271442D+02
               271           272           273           274           275 
      1  -0.363994D+02 -0.644673D+02  0.129358D+02  0.513850D+01 -0.941281D+01
      2   0.307145D+02  0.571817D+02 -0.781519D+01 -0.160364D+01  0.116035D+02
      3   0.568497D+01  0.728559D+01 -0.512057D+01 -0.353487D+01 -0.219067D+01
      4  -0.427654D+02 -0.810435D+00  0.309851D+01  0.189799D+02  0.212467D+01
      5   0.686741D+01  0.194357D+01  0.250562D+02 -0.200069D+01  0.292218D+00
      6  -0.839399D+01 -0.216001D+01  0.117008D+02  0.517451D+01 -0.225394D+01
               276           277           278           279           280 
      1   0.840655D+00 -0.334458D+00 -0.918425D+00 -0.856642D+01  0.318365D+02
      2  -0.202158D+00  0.209015D+01  0.277403D+01  0.449911D+01 -0.230204D+02
      3  -0.638497D+00 -0.175569D+01 -0.185560D+01  0.406731D+01 -0.881610D+01
      4  -0.660736D+00 -0.316998D+01 -0.296889D+01 -0.230480D+01 -0.124514D+02
      5  -0.203073D+01  0.915858D+00  0.196111D+01 -0.994260D-01  0.189401D+02
      6   0.372153D+01  0.511444D+01  0.886467D+01 -0.193209D+01 -0.104126D+02
               281           282           283           284           285 
      1   0.146853D+02  0.810924D+01  0.270611D+01 -0.433100D+01  0.532118D+01
      2  -0.189137D+02 -0.517431D+01 -0.549944D+01  0.864489D+01 -0.744975D+01
      3   0.422844D+01 -0.293492D+01  0.279333D+01 -0.431389D+01  0.212857D+01
      4   0.360401D+02 -0.160295D+02  0.946625D+01 -0.180596D+02  0.107584D+02
      5  -0.946153D+01  0.183207D+02 -0.137551D+01  0.108991D+02 -0.153635D+01
      6   0.756389D+01 -0.102642D+02  0.327691D+01 -0.941265D+01  0.757640D+01
               286           287           288           289           290 
      1   0.119488D+02  0.964699D+01  0.142832D+01 -0.222157D+02 -0.220215D+02
      2  -0.133849D+02 -0.894321D+01 -0.932018D+01  0.229969D+02  0.230401D+02
      3   0.143607D+01 -0.703779D+00  0.789186D+01 -0.781151D+00 -0.101858D+01
      4  -0.872003D+01  0.190752D+02 -0.167535D+02  0.739789D+01  0.850032D+01
      5   0.195954D+02 -0.109768D+02  0.312862D+02 -0.694833D+00 -0.971875D+00
      6  -0.113042D+02  0.133321D+02 -0.242596D+02 -0.554259D+01 -0.444626D+01
               291           292           293           294           295 
      1   0.539428D+01 -0.162693D+02 -0.489176D+02  0.828883D+01  0.397644D+01
      2  -0.347462D+01  0.218046D+02  0.639769D+02 -0.796248D+01 -0.252249D+01
      3  -0.191966D+01 -0.553523D+01 -0.150593D+02 -0.326351D+00 -0.145396D+01
      4  -0.206396D+01 -0.325361D+00 -0.172164D+02  0.325342D+01 -0.955365D+00
      5   0.153366D+00  0.523422D-02  0.295062D+01 -0.161793D+01 -0.165911D+01
      6   0.680641D+01 -0.377615D+01 -0.117634D+02  0.126345D+02  0.732035D+01
               296           297           298           299           300 
      1   0.815139D+01 -0.153719D+02 -0.222618D+02 -0.219633D+02 -0.537036D+01
      2  -0.591208D+01  0.124620D+02  0.230130D+02  0.229660D+02  0.346338D+01
      3  -0.223931D+01  0.290994D+01 -0.751145D+00 -0.100270D+01  0.190698D+01
      4   0.105324D+01 -0.209953D+01  0.742930D+01  0.845027D+01  0.201630D+01
      5  -0.610397D+01  0.301986D+01  0.719632D+00  0.907383D+00  0.231193D+00
      6   0.168499D+02 -0.963611D+01  0.556538D+01  0.445835D+01  0.682839D+01
               301           302           303           304           305 
      1  -0.161049D+02 -0.491518D+02 -0.834955D+01 -0.400863D+01 -0.819995D+01
      2   0.217365D+02  0.641561D+02  0.805003D+01  0.255554D+01  0.597524D+01
      3  -0.563164D+01 -0.150043D+02  0.299528D+00  0.145308D+01  0.222471D+01
      4  -0.478072D+00 -0.169676D+02 -0.322274D+01  0.944260D+00 -0.104150D+01
      5  -0.807716D-01 -0.293118D+01 -0.151247D+01 -0.167944D+01 -0.607255D+01
      6   0.379695D+01  0.118004D+02  0.126657D+02  0.734721D+01  0.168417D+02
               306           307           308           309           310 
      1  -0.153845D+02  0.316476D+02  0.148548D+02 -0.814091D+01  0.285089D+01
      2   0.124578D+02 -0.229655D+02 -0.189631D+02  0.519575D+01 -0.556468D+01
      3   0.292661D+01 -0.868209D+01  0.410827D+01  0.294517D+01  0.271379D+01
      4  -0.206836D+01 -0.121927D+02  0.357228D+02  0.161266D+02  0.936968D+01
      5  -0.301627D+01 -0.189764D+02  0.955089D+01  0.182895D+02  0.146281D+01
      6   0.965606D+01  0.104433D+02 -0.753926D+01 -0.102419D+02 -0.332390D+01
               311           312           313           314           315 
      1  -0.439776D+01 -0.524770D+01 -0.117844D+02 -0.968050D+01  0.142692D+01
      2   0.868614D+01  0.739516D+01  0.132976D+02  0.892585D+01 -0.933720D+01
      3  -0.428837D+01 -0.214747D+01 -0.151323D+01  0.754651D+00  0.791029D+01
      4  -0.180199D+02 -0.108923D+02  0.859897D+01 -0.189077D+02 -0.167771D+02
      5  -0.110298D+02 -0.159710D+01  0.196198D+02 -0.110135D+02 -0.312501D+02
      6   0.940302D+01  0.760580D+01 -0.113041D+02  0.133224D+02  0.242462D+02
               316           317           318           319           320 
      1   0.396614D+02  0.254985D+02  0.943834D+01  0.240878D+02  0.180668D+02
      2  -0.123643D+02 -0.313644D+00 -0.397185D+01  0.845664D+00  0.138739D+02
      3  -0.272970D+02 -0.251848D+02 -0.546649D+01 -0.249334D+02 -0.319406D+02
      4   0.494976D+02  0.532628D+02  0.140565D+02  0.552856D+02  0.726804D+02
      5   0.216532D+02  0.163751D+02  0.158366D+02  0.195502D+02  0.258317D+02
      6   0.141585D+02  0.142610D+02  0.772943D+01  0.163128D+02  0.238842D+02
               321           322           323           324           325 
      1   0.290659D+01  0.665293D+00 -0.195491D+01  0.379569D+00 -0.270293D+02
      2   0.132326D+01 -0.741877D+00 -0.960835D-01  0.146890D+01  0.118653D+02
      3  -0.422985D+01  0.765842D-01  0.205099D+01 -0.184847D+01  0.151640D+02
      4   0.219118D+02  0.234152D+01  0.967413D+01  0.130526D+02  0.202914D+01
      5   0.177124D+02  0.935358D+01  0.127565D+02  0.760373D+01  0.671686D+01
      6   0.141717D+02  0.420155D+01  0.960094D+01  0.657288D+01  0.114656D+02
               326           327           328           329           330 
      1   0.191960D+02  0.317468D+02  0.744384D+01 -0.101268D+02 -0.119065D+02
      2  -0.949466D+01 -0.804424D+01 -0.358175D+01  0.690341D+01  0.775133D+01
      3  -0.970132D+01 -0.237025D+02 -0.386210D+01  0.322343D+01  0.415514D+01
      4  -0.154909D+00 -0.176552D+01  0.393154D+01  0.923373D+01  0.886618D+01
      5  -0.551590D+01 -0.184157D+02 -0.107785D+01  0.964869D+01  0.687721D+01
      6  -0.939262D+01 -0.182820D+02 -0.266896D+01  0.108353D+02  0.117649D+02
               331           332           333           334           335 
      1   0.180810D+02 -0.166365D+02 -0.383828D+02  0.161644D+03  0.956707D+00
      2  -0.409260D+01  0.692177D+01  0.444760D+01 -0.953219D+02 -0.412426D+00
      3  -0.139884D+02  0.971471D+01  0.339352D+02 -0.663223D+02 -0.544281D+00
      4   0.774889D+00  0.742535D+01  0.576486D+01  0.603130D+01  0.140965D+02
      5  -0.634110D+01  0.109240D+02  0.300220D+02  0.673453D+02  0.106505D+01
      6  -0.930507D+01  0.147819D+02  0.248448D+02  0.204722D+01  0.338416D+01
               336           337           338           339           340 
      1   0.396390D+02  0.906186D+00  0.107560D+02 -0.114556D+00  0.221241D+02
      2  -0.282443D+02 -0.206867D-02 -0.493608D+01  0.804779D+00 -0.172563D+02
      3  -0.113948D+02 -0.904117D+00 -0.581990D+01 -0.690223D+00 -0.486782D+01
      4   0.988323D+00  0.167305D+02  0.432041D-01  0.598819D+01  0.205014D+00
      5   0.358605D+02 -0.321282D-01  0.700612D+01 -0.122093D+01  0.278063D+02
      6   0.211668D+01  0.389520D+01  0.122771D+01  0.338076D+01  0.228355D+01
               341           342           343           344           345 
      1  -0.961068D+00  0.193828D+02  0.533446D+01 -0.613709D+01  0.175932D+02
      2   0.239611D+01 -0.157198D+02 -0.672237D+01  0.441997D+00 -0.143191D+01
      3  -0.143505D+01 -0.366295D+01  0.138790D+01  0.569509D+01 -0.161612D+02
      4   0.691095D+00 -0.984961D+00 -0.381491D+01 -0.619903D+01  0.573266D+01
      5  -0.118846D+01  0.173747D+02  0.935483D+01  0.360613D+01 -0.119577D+02
      6   0.187142D+01  0.173612D+00 -0.133875D+01 -0.274020D+01  0.112531D+01
               346           347           348           349           350 
      1  -0.681468D+01 -0.108993D+02  0.787314D+01  0.104948D+02  0.715598D+01
      2   0.500420D+01  0.121838D+01  0.741935D+01 -0.604836D+01  0.599962D+01
      3   0.181048D+01  0.968092D+01 -0.152925D+02 -0.444648D+01 -0.131556D+02
      4  -0.513981D+00 -0.167062D+02  0.187639D+02 -0.232434D+01  0.156399D+02
      5  -0.503544D+01  0.162551D+02 -0.290325D+02  0.669700D+01 -0.219132D+02
      6  -0.203697D+00 -0.725066D+01  0.877737D+01 -0.870587D+00  0.744499D+01
               351           352           353           354           355 
      1  -0.225145D+02  0.430469D+02 -0.312688D+02 -0.446683D+01 -0.339121D+02
      2  -0.170840D+02 -0.189379D+02  0.151200D+02  0.215851D+01  0.134589D+02
      3   0.395985D+02 -0.241090D+02  0.161488D+02  0.230832D+01  0.204531D+02
      4  -0.243124D+02 -0.376176D+02  0.261195D+02  0.438721D+01  0.359349D+02
      5   0.564524D+02 -0.523310D+01  0.407403D+01  0.115314D+02  0.443767D+01
      6  -0.818919D+01  0.146330D+01 -0.109789D+01 -0.976779D+00 -0.179001D+01
               356           357           358           359           360 
      1   0.172724D+02  0.345852D+01 -0.628215D+01  0.534676D+01  0.109352D+02
      2   0.244141D+01 -0.109642D+01  0.321438D+01 -0.278207D+01 -0.700465D+01
      3  -0.197138D+02 -0.236209D+01  0.306776D+01 -0.256468D+01 -0.393050D+01
      4  -0.604699D+02 -0.628397D+01  0.686999D+01 -0.566915D+01 -0.102553D+02
      5  -0.545581D+01 -0.655052D+01  0.174595D+02 -0.955753D+01 -0.564663D+01
      6   0.101986D+01  0.369938D+01 -0.195822D+01  0.508126D+01  0.104315D+01
               361           362           363           364           365 
      1  -0.509671D+02 -0.196948D+02 -0.140896D+02 -0.192681D+02 -0.127043D+02
      2   0.228166D+02  0.110948D+02 -0.417021D+01  0.981393D+01  0.464948D+01
      3   0.281505D+02  0.859993D+01  0.182598D+02  0.945417D+01  0.805480D+01
      4  -0.215683D+02 -0.912882D+01  0.437355D+00 -0.716265D+01 -0.625132D+01
      5   0.213341D+02  0.109821D+02 -0.982362D+01  0.968503D+01 -0.140713D+01
      6   0.748810D+01  0.548707D+01  0.396314D+00  0.397648D+01  0.363005D+01
               366           367           368           369           370 
      1  -0.214455D+01 -0.475864D+01 -0.356454D+00 -0.117894D+02 -0.167375D+01
      2  -0.342972D+01 -0.350482D+01 -0.254685D+01  0.440383D+01 -0.221885D+01
      3   0.557427D+01  0.826346D+01  0.290330D+01  0.738562D+01  0.389260D+01
      4  -0.623156D+01  0.157370D+01 -0.305690D+01 -0.408295D+01  0.337533D+01
      5  -0.480168D+01 -0.503590D+01 -0.362612D+01  0.494272D+01 -0.944728D+01
      6   0.577166D+01  0.536179D+00  0.342589D+01  0.104297D+01 -0.389399D+01
               371           372           373           374           375 
      1   0.456243D+01 -0.968324D+01  0.472527D+01 -0.131476D+02  0.186932D+02
      2  -0.155415D+01  0.654969D+01 -0.402588D+01  0.341666D+01  0.598814D+01
      3  -0.300828D+01  0.313355D+01 -0.699389D+00  0.973092D+01 -0.246814D+02
      4   0.459023D+01 -0.134356D+01  0.989540D+01  0.305858D+02 -0.255725D+02
      5  -0.154478D+01  0.117504D+02 -0.905253D+01 -0.272049D+02  0.381715D+02
      6  -0.147175D+01  0.164517D+00 -0.618516D+01 -0.270224D+02  0.278291D+02
               376           377           378           379           380 
      1  -0.605983D+01  0.129838D+02 -0.182375D+02  0.326533D+02 -0.171446D+02
      2   0.755634D+01  0.320080D+01 -0.142113D+02 -0.271941D+02  0.141294D+02
      3  -0.149651D+01 -0.161846D+02  0.324489D+02 -0.545920D+01  0.301521D+01
      4  -0.418390D+01 -0.185702D+02  0.224656D+02 -0.210163D+02  0.179426D+02
      5   0.149513D+02  0.228623D+02 -0.456510D+02 -0.384882D+02  0.213249D+02
      6   0.346366D+01  0.205800D+02 -0.260222D+02  0.100239D+02 -0.893136D+01
               381           382           383           384           385 
      1  -0.177129D+02 -0.243285D+02  0.110024D+02  0.105331D+02 -0.983506D+01
      2   0.230170D+02  0.200614D+02 -0.135427D+02 -0.189674D+02  0.157167D+02
      3  -0.530411D+01  0.426707D+01  0.254036D+01  0.843427D+01 -0.588165D+01
      4   0.149494D+02  0.227672D+02 -0.287166D+02 -0.255309D+02  0.970657D+01
      5   0.402176D+02  0.306260D+02 -0.300656D+02 -0.338705D+02  0.287337D+02
      6  -0.681753D+01 -0.116710D+02  0.146241D+02  0.161614D+02 -0.544043D+01
               386           387           388           389           390 
      1   0.454693D+01  0.908851D+01  0.436801D+02  0.962686D+01  0.235343D+02
      2  -0.917574D+01 -0.218184D+02 -0.183216D+02 -0.821980D+00 -0.805793D+01
      3   0.462881D+01  0.127299D+02 -0.253585D+02 -0.880488D+01 -0.154764D+02
      4  -0.143472D+02 -0.137204D+02  0.161447D+02  0.146037D+02  0.142406D+02
      5  -0.162501D+02 -0.381087D+02  0.197002D+02  0.102967D+02  0.204529D+02
      6   0.101378D+02  0.806886D+01  0.570761D+01  0.227882D+01  0.426703D+01
               391           392           393           394           395 
      1   0.105491D+02  0.139563D+02  0.118127D+02  0.480415D+02  0.175208D+02
      2   0.533189D+00 -0.114080D+01 -0.208049D+01 -0.184239D+02 -0.352076D+01
      3  -0.110823D+02 -0.128155D+02 -0.973218D+01 -0.296176D+02 -0.140001D+02
      4   0.214836D+02  0.207373D+02  0.100061D+02  0.247512D+02  0.168574D+02
      5   0.111221D+02  0.676448D+01  0.153504D+02  0.224122D+02  0.150500D+02
      6   0.128018D+01  0.148538D+01  0.648127D+01  0.505326D+01  0.544203D+01
               396           397           398           399           400 
      1   0.237674D+02  0.110887D+03 -0.325484D+02 -0.307603D+02 -0.838281D+02
      2  -0.620033D+01 -0.666526D+02  0.203861D+02  0.217088D+02  0.513643D+02
      3  -0.175670D+02 -0.442348D+02  0.121623D+02  0.905151D+01  0.324638D+02
      4   0.198481D+02 -0.230975D+02  0.179041D+02  0.710791D+01  0.280472D+02
      5   0.476596D+02 -0.413883D+02  0.120831D+02  0.266321D+02  0.332729D+02
      6   0.112114D+02  0.289666D+01 -0.232651D+01  0.731387D+00 -0.454935D+01
               401           402           403           404           405 
      1   0.301786D+02  0.251686D+02 -0.386805D+02  0.108600D+02  0.276014D+02
      2  -0.198830D+02 -0.191346D+02  0.277797D+02 -0.941816D+01 -0.203002D+02
      3  -0.102956D+02 -0.603403D+01  0.109008D+02 -0.144180D+01 -0.730119D+01
      4  -0.251395D+02 -0.146786D+02  0.687404D+01 -0.125556D+02 -0.281782D+01
      5  -0.181146D+02 -0.198531D+02  0.374544D+02 -0.605143D+01 -0.243905D+02
      6   0.356926D+01  0.372456D+01  0.159501D+01  0.437184D+01 -0.318757D+00
               406           407           408           409           410 
      1   0.111917D+02  0.691666D+01 -0.126635D+02  0.179053D+02  0.763198D+01
      2  -0.535225D+01 -0.145027D+01  0.672657D+01 -0.344912D+01  0.987662D+01
      3  -0.583940D+01 -0.546639D+01  0.593690D+01 -0.144562D+02 -0.175086D+02
      4   0.103971D+02  0.119515D+02 -0.625684D+01  0.377935D+02  0.630159D+02
      5  -0.139252D+02 -0.528890D+01  0.103946D+02 -0.194228D+02 -0.377255D+02
      6  -0.559695D+01 -0.277940D+01  0.235114D+01 -0.119831D+02 -0.250214D+02
               411           412           413           414           415 
      1   0.695426D+00 -0.258396D+02 -0.876444D-01  0.731658D+01 -0.305647D+02
      2  -0.374343D+01  0.144174D+02 -0.343782D+01 -0.621639D+01  0.316438D+02
      3   0.304800D+01  0.114223D+02  0.352546D+01 -0.110019D+01 -0.107914D+01
      4  -0.369028D+02 -0.220729D+02 -0.379990D+02  0.347493D+02 -0.364931D+01
      5   0.338406D+02  0.304667D+02  0.342310D+02 -0.410994D+02  0.816056D+01
      6   0.196976D+02  0.112384D+02  0.201806D+02 -0.202459D+02  0.730160D+01
               416           417           418           419           420 
      1   0.330585D+02  0.102811D+02  0.205515D+02 -0.316797D+02 -0.113885D+02
      2  -0.354518D+02 -0.120938D+02 -0.213208D+02  0.428705D+02  0.137529D+02
      3   0.239328D+01  0.181263D+01  0.769279D+00 -0.111907D+02 -0.236436D+01
      4   0.755799D+00  0.169619D+01  0.445236D+01  0.104738D+02  0.336370D+01
      5  -0.694788D+01 -0.845643D+01 -0.561241D+01  0.951586D+01  0.405268D+01
      6  -0.552284D+01 -0.113578D+02 -0.490756D+01  0.828798D+01  0.722927D+01
               421           422           423           424           425 
      1   0.163031D+02 -0.222184D+02 -0.184185D+02  0.291888D+02  0.116533D+02
      2  -0.159949D+02  0.286431D+02  0.151197D+02  0.531280D+01  0.217487D+02
      3  -0.308176D+00 -0.642472D+01  0.329878D+01 -0.345016D+02 -0.334020D+02
      4   0.345947D+01  0.100014D+02 -0.626925D+00  0.584130D+02  0.620396D+02
      5  -0.842736D+01  0.802943D+01  0.865272D+01 -0.985676D+01 -0.107509D+02
      6  -0.106571D+02  0.111080D+02  0.110575D+02 -0.530841D+01 -0.953075D+01
               426           427           428           429           430 
      1   0.141945D+00  0.114964D+02 -0.186929D+00 -0.172937D+01  0.182244D+01
      2  -0.339263D+01  0.126787D+02  0.354137D+02 -0.639868D+00 -0.248458D+01
      3   0.325068D+01 -0.241751D+02 -0.352267D+02  0.236924D+01  0.662144D+00
      4  -0.805246D+01  0.450011D+02  0.638603D+02 -0.664613D+01 -0.304320D+01
      5   0.804206D+01 -0.823244D+01 -0.748472D+01  0.734189D+01  0.667140D+01
      6   0.677726D+01 -0.663664D+01 -0.877501D+01  0.750975D+01  0.529130D+01
               431           432           433           434           435 
      1  -0.239535D+01 -0.106873D+01 -0.139543D+02  0.123396D+02 -0.152426D+02
      2   0.323191D+01  0.324308D+01  0.764136D+01 -0.943475D+01  0.294446D+01
      3  -0.836553D+00 -0.217435D+01  0.631294D+01 -0.290489D+01  0.122982D+02
      4  -0.178093D+01  0.101530D+02 -0.125657D+01  0.112395D+01 -0.488869D+01
      5   0.957671D+01 -0.506031D+01 -0.383070D+01  0.940709D+00 -0.800972D+01
      6   0.978473D+01 -0.513384D+01 -0.842558D+01  0.464312D+01 -0.145650D+02
               436           437           438           439           440 
      1   0.250781D+01 -0.592279D+01  0.375217D+01 -0.137720D+02  0.168068D+02
      2  -0.257148D+01  0.272506D+01 -0.599257D+01  0.332619D+01 -0.142976D+02
      3   0.636722D-01  0.319773D+01  0.224041D+01  0.104458D+02 -0.250914D+01
      4   0.524450D+00 -0.220672D+01 -0.498897D+01 -0.538120D+01 -0.991288D+01
      5  -0.112857D+01 -0.497011D+01  0.123400D+01 -0.435396D+01  0.105650D+02
      6   0.640875D+00 -0.545773D+01  0.680879D+01 -0.110885D+02  0.184435D+02
               441           442           443           444           445 
      1  -0.357413D+02 -0.172337D+01  0.460732D+01  0.961774D+01  0.459743D+01
      2   0.378312D+01 -0.217137D+01 -0.156022D+01 -0.648643D+01 -0.393385D+01
      3   0.319582D+02  0.389473D+01 -0.304709D+01 -0.313131D+01 -0.663586D+00
      4  -0.219858D+00  0.336735D+01  0.448825D+01  0.126070D+01  0.985264D+01
      5  -0.350918D+02  0.935857D+01  0.148292D+01  0.116399D+02  0.897423D+01
      6  -0.411398D+02  0.386596D+01  0.140927D+01  0.867687D-01  0.613492D+01
               446           447           448           449           450 
      1  -0.131944D+02 -0.187562D+02  0.579156D+01 -0.127657D+02 -0.182880D+02
      2   0.347804D+01 -0.598880D+01 -0.738054D+01 -0.324793D+01 -0.141823D+02
      3   0.971636D+01  0.247450D+02  0.158898D+01  0.160136D+02  0.324703D+02
      4   0.305753D+02  0.254479D+02  0.438430D+01  0.182814D+02  0.223853D+02
      5   0.270566D+02  0.380927D+02  0.148169D+02  0.227511D+02  0.454570D+02
      6   0.270093D+02  0.278330D+02  0.347211D+01  0.205446D+02  0.260383D+02
               451           452           453           454           455 
      1  -0.509766D+02 -0.195917D+02  0.139795D+02 -0.193196D+02 -0.126460D+02
      2   0.228264D+02  0.110528D+02  0.420251D+01  0.980940D+01  0.463460D+01
      3   0.281503D+02  0.853892D+01 -0.181820D+02  0.951020D+01  0.801139D+01
      4  -0.215039D+02 -0.921575D+01 -0.438858D+00 -0.715441D+01 -0.628773D+01
      5  -0.214098D+02 -0.109883D+02 -0.984336D+01 -0.974164D+01  0.140601D+01
      6  -0.747012D+01 -0.547471D+01  0.382814D+00 -0.399902D+01 -0.359314D+01
               456           457           458           459           460 
      1   0.207722D+01  0.473608D+01  0.177721D+00 -0.116946D+02  0.328403D+02
      2   0.349394D+01  0.353345D+01  0.264547D+01  0.436505D+01 -0.272734D+02
      3  -0.557117D+01 -0.826954D+01 -0.282320D+01  0.732957D+01 -0.556688D+01
      4   0.622112D+01 -0.168683D+01  0.310824D+01 -0.416814D+01 -0.211937D+02
      5  -0.480308D+01 -0.501963D+01 -0.374431D+01 -0.502399D+01  0.383211D+02
      6   0.571495D+01  0.474750D+00  0.341673D+01 -0.104447D+01 -0.100112D+02
               461           462           463           464           465 
      1  -0.172732D+02  0.175892D+02 -0.241390D+02  0.108486D+02 -0.104636D+02
      2   0.142019D+02 -0.229959D+02  0.199803D+02 -0.134782D+02  0.189957D+02
      3   0.307134D+01  0.540670D+01  0.415863D+01  0.262963D+01 -0.853216D+01
      4   0.180586D+02 -0.148421D+02  0.226522D+02 -0.286086D+02  0.256069D+02
      5  -0.212142D+02  0.402805D+02 -0.305762D+02  0.301129D+02 -0.339565D+02
      6   0.889069D+01 -0.687380D+01  0.116790D+02 -0.145953D+02  0.161536D+02
               466           467           468           469           470 
      1   0.962214D+01 -0.439099D+01  0.901999D+01  0.108515D+02  0.711551D+01
      2  -0.156554D+02  0.917732D+01 -0.218939D+02 -0.518061D+01 -0.154843D+01
      3   0.603330D+01 -0.478633D+01  0.128739D+02 -0.567091D+01 -0.556708D+01
      4  -0.962476D+01  0.142764D+02 -0.137692D+02  0.105735D+02  0.116790D+02
      5   0.287962D+02 -0.163112D+02  0.383076D+02  0.139858D+02  0.517371D+01
      6  -0.546083D+01  0.101838D+02 -0.817789D+01  0.551966D+01  0.276406D+01
               471           472           473           474           475 
      1   0.126682D+02  0.178722D+02  0.762284D+01 -0.703340D+00  0.258316D+02
      2  -0.671325D+01 -0.345078D+01  0.987741D+01  0.375639D+01 -0.144080D+02
      3  -0.595498D+01 -0.144214D+02 -0.175002D+02 -0.305305D+01 -0.114237D+02
      4   0.616847D+01  0.377952D+02  0.628828D+02  0.368576D+02  0.219579D+02
      5   0.103492D+02  0.195320D+02  0.376887D+02  0.338109D+02  0.305100D+02
      6   0.228918D+01  0.119365D+02  0.250531D+02  0.197160D+02  0.112255D+02
               476           477           478           479           480 
      1   0.809368D-02  0.733124D+01  0.110267D+03 -0.321733D+02  0.309516D+02
      2   0.343515D+01 -0.622552D+01 -0.663545D+02  0.202365D+02 -0.218807D+02
      3  -0.344324D+01 -0.110573D+01 -0.439125D+02  0.119368D+02 -0.907082D+01
      4   0.379821D+02  0.347622D+02 -0.227962D+02  0.176810D+02 -0.716806D+01
      5   0.342165D+02  0.411269D+02  0.415639D+02 -0.121750D+02  0.266713D+02
      6   0.201759D+02  0.202763D+02 -0.285697D+01  0.231488D+01  0.698220D+00
               481           482           483           484           485 
      1  -0.839551D+02  0.303157D+02 -0.252156D+02  0.389601D+02 -0.110347D+02
      2   0.514123D+02 -0.199442D+02  0.192467D+02 -0.279331D+02  0.948342D+01
      3   0.325428D+02 -0.103715D+02  0.596881D+01 -0.110270D+02  0.155127D+01
      4   0.282461D+02 -0.253248D+02  0.146965D+02 -0.707084D+01  0.127281D+02
      5  -0.333496D+02  0.181429D+02 -0.199879D+02  0.375909D+02 -0.615441D+01
      6   0.455916D+01 -0.357592D+01  0.375604D+01  0.162693D+01  0.438126D+01
               486           487           488           489           490 
      1   0.276791D+02  0.439753D+02  0.946892D+01 -0.237927D+02  0.105817D+02
      2  -0.204206D+02 -0.182984D+02 -0.745350D+00  0.816809D+01  0.542224D+00
      3  -0.725853D+01 -0.256769D+02 -0.872357D+01  0.156246D+02 -0.111240D+02
      4  -0.290416D+01  0.160522D+02  0.148855D+02 -0.143339D+02  0.214814D+02
      5   0.245256D+02 -0.199450D+02 -0.103613D+02  0.204525D+02 -0.111346D+02
      6   0.291771D+00 -0.576893D+01 -0.225904D+01  0.423776D+01 -0.128961D+01
               491           492           493           494           495 
      1   0.139535D+02 -0.119104D+02 -0.481207D+02 -0.175856D+02  0.237612D+02
      2  -0.115213D+01  0.210871D+01  0.184655D+02  0.356244D+01 -0.619557D+01
      3  -0.128014D+02  0.980164D+01  0.296552D+02  0.140232D+02 -0.175656D+02
      4   0.206787D+02 -0.100149D+02 -0.247957D+02 -0.167308D+02  0.198367D+02
      5  -0.672286D+01  0.152516D+02  0.223322D+02  0.150394D+02 -0.475594D+02
      6  -0.146090D+01  0.646846D+01  0.503440D+01  0.543016D+01 -0.111702D+02
               496           497           498           499           500 
      1   0.161610D+03  0.942791D+00 -0.395697D+02  0.943144D+00  0.107493D+02
      2  -0.953247D+02 -0.388290D+00  0.281906D+02 -0.299489D-01 -0.498158D+01
      3  -0.662854D+02 -0.554501D+00  0.113791D+02 -0.913195D+00 -0.576774D+01
      4   0.600628D+01  0.139000D+02 -0.874482D+00  0.166366D+02  0.124114D+00
      5  -0.672560D+02 -0.931191D+00  0.357898D+02  0.700067D-01 -0.702017D+01
      6  -0.200440D+01 -0.336461D+01  0.207984D+01 -0.390203D+01 -0.122474D+01
               501           502           503           504           505 
      1   0.152115D+00 -0.214790D+02  0.580311D+00  0.192811D+02  0.517900D+01
      2  -0.837156D+00  0.169665D+02 -0.225111D+01 -0.156623D+02 -0.664709D+01
      3   0.685041D+00  0.451248D+01  0.167080D+01 -0.361879D+01  0.146809D+01
      4  -0.599133D+01 -0.663657D+00 -0.247496D+00 -0.993738D+00 -0.368809D+01
      5  -0.121486D+01  0.276032D+02 -0.122280D+01 -0.171476D+02 -0.934797D+01
      6   0.337280D+01  0.220814D+01  0.182692D+01 -0.168905D+00  0.135139D+01
               506           507           508           509           510 
      1  -0.604163D+01 -0.175197D+02 -0.714735D+01 -0.105853D+02 -0.782461D+01
      2   0.455488D+00  0.146973D+01  0.513290D+01  0.110518D+01 -0.739653D+01
      3   0.558614D+01  0.160499D+02  0.201445D+01  0.948016D+01  0.152211D+02
      4  -0.628081D+01 -0.570919D+01 -0.144787D+00 -0.169749D+02 -0.187604D+02
      5  -0.357465D+01 -0.119138D+02  0.506210D+01 -0.162716D+02 -0.290024D+02
      6   0.273407D+01  0.110779D+01  0.204973D+00  0.725298D+01  0.879796D+01
               511           512           513           514           515 
      1  -0.101034D+02 -0.723196D+01 -0.224311D+02 -0.270886D+02  0.193131D+02
      2   0.589853D+01 -0.599896D+01 -0.171646D+02  0.118956D+02 -0.953948D+01
      3   0.420487D+01  0.132309D+02  0.395957D+02  0.151930D+02 -0.977361D+01
      4   0.219457D+01 -0.155168D+02 -0.243518D+02  0.218567D+01 -0.234123D+00
      5   0.676702D+01 -0.219702D+02 -0.564943D+02 -0.675310D+01  0.552354D+01
      6  -0.855891D+00  0.743583D+01  0.821744D+01 -0.114663D+02  0.937791D+01
               516           517           518           519           520 
      1  -0.317843D+02  0.754068D+01 -0.102867D+02  0.119004D+02 -0.181073D+02
      2   0.804553D+01 -0.359845D+01  0.695962D+01 -0.777537D+01  0.411589D+01
      3   0.237388D+02 -0.394222D+01  0.332712D+01 -0.412500D+01  0.139914D+02
      4   0.177999D+01  0.378503D+01  0.934054D+01 -0.888801D+01 -0.743994D+00
      5  -0.184855D+02  0.105644D+01 -0.965121D+01  0.690740D+01 -0.624457D+01
      6  -0.182909D+02  0.268735D+01 -0.108757D+02  0.117609D+02 -0.930832D+01
               521           522           523           524           525 
      1   0.167281D+02 -0.383548D+02  0.399470D+02  0.254384D+02 -0.944637D+01
      2  -0.697151D+01  0.439973D+01 -0.125010D+02 -0.301444D+00  0.399293D+01
      3  -0.975663D+01  0.339551D+02 -0.274460D+02 -0.251369D+02  0.545344D+01
      4  -0.748733D+01  0.576964D+01  0.494402D+02  0.533256D+02 -0.140614D+02
      5   0.109097D+02 -0.300975D+02 -0.216305D+02 -0.163840D+02  0.158412D+02
      6   0.147944D+02 -0.248835D+02 -0.141679D+02 -0.142255D+02  0.774403D+01
               526           527           528           529           530 
      1   0.245464D+02  0.179862D+02 -0.294522D+01 -0.748354D+00  0.201979D+01
      2   0.598286D+00  0.138341D+02 -0.131067D+01  0.816585D+00  0.695231D-01
      3  -0.251446D+02 -0.318203D+02  0.425590D+01 -0.682312D-01 -0.208932D+01
      4   0.551333D+02  0.727546D+02 -0.218333D+02 -0.233454D+01 -0.965321D+01
      5  -0.195605D+02 -0.257707D+02  0.177067D+02  0.941184D+01  0.126304D+02
      6  -0.162786D+02 -0.238476D+02  0.141682D+02  0.417018D+01  0.960803D+01
               531           532           533           534           535 
      1   0.464369D+00  0.429751D+02 -0.313194D+02  0.448129D+01 -0.337660D+02
      2   0.147233D+01 -0.188618D+02  0.151754D+02 -0.213333D+01  0.133463D+02
      3  -0.193670D+01 -0.241133D+02  0.161440D+02 -0.234796D+01  0.204196D+02
      4   0.129196D+02 -0.376052D+02  0.261402D+02 -0.436551D+01  0.359632D+02
      5  -0.765001D+01  0.521237D+01 -0.405391D+01  0.115598D+02 -0.456767D+01
      6  -0.658075D+01 -0.146968D+01  0.107881D+01 -0.979642D+00  0.181570D+01
               536           537           538           539           540 
      1   0.173911D+02 -0.352432D+01  0.683576D+01 -0.582482D+01  0.107717D+02
      2   0.238441D+01  0.114935D+01 -0.342096D+01  0.295009D+01 -0.692724D+01
      3  -0.197755D+02  0.237498D+01 -0.341479D+01  0.287473D+01 -0.384451D+01
      4  -0.605553D+02  0.638202D+01 -0.743725D+01  0.623788D+01 -0.100625D+02
      5   0.556063D+01 -0.653894D+01  0.172221D+02 -0.935078D+01  0.576238D+01
      6  -0.102412D+01  0.369298D+01 -0.194346D+01  0.508256D+01 -0.106568D+01
               541           542           543           544           545 
      1   0.291826D+02  0.116960D+02 -0.131399D+00  0.116818D+02 -0.223621D+00
      2   0.534334D+01  0.217504D+02  0.342126D+01  0.126573D+02  0.353633D+02
      3  -0.345260D+02 -0.334464D+02 -0.328986D+01 -0.243391D+02 -0.351397D+02
      4   0.584783D+02  0.620672D+02  0.807482D+01  0.449639D+02  0.640613D+02
      5   0.986065D+01  0.107640D+02  0.804141D+01  0.812211D+01  0.746931D+01
      6   0.529659D+01  0.957705D+01  0.683685D+01  0.663806D+01  0.875346D+01
               546           547           548           549           550 
      1   0.168947D+01 -0.188110D+01  0.246261D+01 -0.108793D+01 -0.302382D+02
      2   0.617130D+00  0.253644D+01 -0.318965D+01  0.328130D+01  0.314570D+02
      3  -0.230660D+01 -0.655337D+00  0.727042D+00 -0.219337D+01 -0.121877D+01
      4   0.665130D+01  0.322410D+01  0.181607D+01  0.101584D+02 -0.371388D+01
      5   0.733689D+01  0.667182D+01  0.960217D+01  0.509003D+01 -0.810007D+01
      6   0.750827D+01  0.531310D+01  0.983718D+01  0.518245D+01 -0.731940D+01
               551           552           553           554           555 
      1   0.329452D+02 -0.102510D+02  0.204828D+02 -0.317860D+02  0.113645D+02
      2  -0.354293D+02  0.121035D+02 -0.212374D+02  0.430082D+02 -0.138011D+02
      3   0.248401D+01 -0.185241D+01  0.754578D+00 -0.112221D+02  0.243669D+01
      4   0.887764D+00 -0.170506D+01  0.437721D+01  0.105447D+02 -0.331537D+01
      5   0.693149D+01 -0.847143D+01  0.561312D+01 -0.946542D+01  0.406445D+01
      6   0.556767D+01 -0.113748D+02  0.498226D+01 -0.834114D+01  0.725631D+01
               556           557           558           559           560 
      1  -0.162706D+02  0.222650D+02 -0.184566D+02 -0.139912D+02  0.124243D+02
      2   0.159974D+02 -0.286947D+02  0.151880D+02  0.765654D+01 -0.950994D+01
      3   0.273258D+00  0.642965D+01  0.326857D+01  0.633470D+01 -0.291440D+01
      4  -0.346403D+01 -0.100172D+02 -0.580056D+00 -0.127879D+01  0.112417D+01
      5  -0.841875D+01  0.807525D+01 -0.873743D+01  0.388842D+01 -0.972663D+00
      6  -0.106635D+02  0.111493D+02 -0.111577D+02  0.844374D+01 -0.467090D+01
               561           562           563           564           565 
      1   0.153245D+02  0.264459D+01 -0.602869D+01 -0.385335D+01  0.138329D+02
      2  -0.302758D+01 -0.263731D+01  0.275483D+01  0.604385D+01 -0.334199D+01
      3  -0.122969D+02 -0.727994D-02  0.327386D+01 -0.219050D+01 -0.104909D+02
      4   0.488339D+01  0.483063D+00 -0.218127D+01  0.502994D+01  0.536925D+01
      5  -0.798333D+01  0.108034D+01  0.502063D+01  0.127116D+01 -0.440702D+01
      6  -0.145716D+02 -0.652608D+00  0.548586D+01  0.682276D+01 -0.111178D+02
               566           567 
      1  -0.168498D+02 -0.357475D+02
      2   0.143307D+02  0.384918D+01
      3   0.251915D+01  0.318984D+02
      4   0.999563D+01 -0.212621D+00
      5   0.105814D+02  0.350528D+02
      6   0.184310D+02  0.410833D+02
 End of Minotr F.D. properties file   788 does not exist.
 Leave Link 1002 at Sun Aug 29 04:47:22 2021, MaxMem= 16106127360 cpu:         1699678.8 elap:          213549.1
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l601.exe)
 Copying SCF densities to generalized density rwf, IOpCl= 1 IROHF=0.

 **********************************************************************

            Population analysis using the SCF density.

 **********************************************************************

 Orbital symmetries:
 Alpha Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A)
 Beta  Orbitals:
       Occupied  (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
       Virtual   (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
                 (A) (A) (A) (A) (A) (A) (A) (A) (A) (A)
 The electronic state is 2-A.
 Alpha  occ. eigenvalues -- -324.06028 -39.21965 -34.48945 -34.48884 -34.45965
 Alpha  occ. eigenvalues --  -25.10992 -25.10991 -25.10906 -25.10906 -25.10798
 Alpha  occ. eigenvalues --  -25.10797 -19.50078 -19.50076 -19.49054 -19.49054
 Alpha  occ. eigenvalues --  -10.69925 -10.69924 -10.54731 -10.54731 -10.54029
 Alpha  occ. eigenvalues --  -10.54027 -10.45974 -10.45973 -10.45948 -10.45946
 Alpha  occ. eigenvalues --  -10.45304 -10.45303 -10.44605 -10.44605 -10.44308
 Alpha  occ. eigenvalues --  -10.44307 -10.43898 -10.43897 -10.43352 -10.43350
 Alpha  occ. eigenvalues --  -10.43176 -10.43174 -10.43022 -10.43022  -4.59446
 Alpha  occ. eigenvalues --   -3.13214  -3.13161  -3.07663  -1.46754  -1.46753
 Alpha  occ. eigenvalues --   -1.36791  -1.36790  -1.36549  -1.36549  -1.21324
 Alpha  occ. eigenvalues --   -1.20881  -1.19130  -1.19014  -1.04936  -1.04880
 Alpha  occ. eigenvalues --   -0.93840  -0.93707  -0.91551  -0.91549  -0.90000
 Alpha  occ. eigenvalues --   -0.89858  -0.88102  -0.88080  -0.82878  -0.82857
 Alpha  occ. eigenvalues --   -0.81621  -0.81595  -0.80843  -0.80786  -0.76860
 Alpha  occ. eigenvalues --   -0.76766  -0.74130  -0.73650  -0.73331  -0.73330
 Alpha  occ. eigenvalues --   -0.72709  -0.72395  -0.69832  -0.69561  -0.68116
 Alpha  occ. eigenvalues --   -0.67351  -0.65593  -0.65229  -0.64800  -0.63178
 Alpha  occ. eigenvalues --   -0.61375  -0.61341  -0.61110  -0.61072  -0.61034
 Alpha  occ. eigenvalues --   -0.60714  -0.60334  -0.60264  -0.59735  -0.58687
 Alpha  occ. eigenvalues --   -0.58168  -0.57982  -0.57972  -0.57676  -0.57147
 Alpha  occ. eigenvalues --   -0.57144  -0.56809  -0.56682  -0.56560  -0.54936
 Alpha  occ. eigenvalues --   -0.54929  -0.54530  -0.54378  -0.54355  -0.54057
 Alpha  occ. eigenvalues --   -0.53547  -0.53451  -0.53094  -0.52256  -0.52085
 Alpha  occ. eigenvalues --   -0.51884  -0.51639  -0.51384  -0.50865  -0.50547
 Alpha  occ. eigenvalues --   -0.50318  -0.50206  -0.49771  -0.49485  -0.49191
 Alpha  occ. eigenvalues --   -0.48969  -0.46597  -0.46586  -0.45818  -0.45817
 Alpha  occ. eigenvalues --   -0.45263  -0.45057  -0.44249  -0.44158  -0.43172
 Alpha  occ. eigenvalues --   -0.43118  -0.42261  -0.42101  -0.40648  -0.40486
 Alpha  occ. eigenvalues --   -0.38366  -0.36171  -0.33906  -0.32949
 Alpha virt. eigenvalues --   -0.01627  -0.01289  -0.01165  -0.00658  -0.00559
 Alpha virt. eigenvalues --   -0.00290  -0.00115   0.00256   0.00429   0.00751
 Alpha virt. eigenvalues --    0.00961   0.01092   0.01180   0.01183   0.01742
 Alpha virt. eigenvalues --    0.01758   0.02102   0.02424   0.02929   0.03410
 Alpha virt. eigenvalues --    0.03438   0.03586   0.03961   0.04027   0.04152
 Alpha virt. eigenvalues --    0.04315   0.04745   0.04873   0.05065   0.05470
 Alpha virt. eigenvalues --    0.06183   0.06341   0.06624   0.06768   0.06850
 Alpha virt. eigenvalues --    0.07400   0.07770   0.08182   0.08497   0.08868
 Alpha virt. eigenvalues --    0.09092   0.09273   0.09285   0.09329   0.09521
 Alpha virt. eigenvalues --    0.09586   0.09791   0.10064   0.10406   0.10600
 Alpha virt. eigenvalues --    0.10601   0.10759   0.10826   0.11227   0.11435
 Alpha virt. eigenvalues --    0.11866   0.11870   0.12097   0.12333   0.12456
 Alpha virt. eigenvalues --    0.12516   0.12961   0.13105   0.13173   0.13431
 Alpha virt. eigenvalues --    0.13660   0.13896   0.13998   0.14096   0.14178
 Alpha virt. eigenvalues --    0.14281   0.14359   0.14547   0.14783   0.15131
 Alpha virt. eigenvalues --    0.15138   0.15257   0.15301   0.15869   0.16049
 Alpha virt. eigenvalues --    0.16193   0.16396   0.16469   0.16618   0.16927
 Alpha virt. eigenvalues --    0.17076   0.17255   0.17408   0.17606   0.17796
 Alpha virt. eigenvalues --    0.18107   0.18299   0.18301   0.18775   0.18985
 Alpha virt. eigenvalues --    0.19040   0.19413   0.19674   0.20212   0.20374
 Alpha virt. eigenvalues --    0.20468   0.20568   0.20718   0.20924   0.21254
 Alpha virt. eigenvalues --    0.21411   0.21718   0.21958   0.22077   0.22179
 Alpha virt. eigenvalues --    0.22632   0.22890   0.22895   0.23205   0.23433
 Alpha virt. eigenvalues --    0.23628   0.23868   0.24054   0.24485   0.24553
 Alpha virt. eigenvalues --    0.24705   0.24877   0.25051   0.25299   0.25524
 Alpha virt. eigenvalues --    0.25588   0.25992   0.26115   0.26374   0.26457
 Alpha virt. eigenvalues --    0.26573   0.26704   0.26987   0.27338   0.27574
 Alpha virt. eigenvalues --    0.27686   0.27789   0.28122   0.28140   0.28285
 Alpha virt. eigenvalues --    0.28633   0.28681   0.29101   0.29174   0.29227
 Alpha virt. eigenvalues --    0.29488   0.29890   0.30014   0.30091   0.30665
 Alpha virt. eigenvalues --    0.30743   0.30747   0.30832   0.31158   0.31323
 Alpha virt. eigenvalues --    0.31452   0.31669   0.31953   0.32304   0.32442
 Alpha virt. eigenvalues --    0.32813   0.32899   0.33410   0.33508   0.33540
 Alpha virt. eigenvalues --    0.33718   0.33829   0.33841   0.34400   0.34465
 Alpha virt. eigenvalues --    0.34548   0.34677   0.34799   0.34932   0.35167
 Alpha virt. eigenvalues --    0.35326   0.35373   0.35733   0.35912   0.36007
 Alpha virt. eigenvalues --    0.36584   0.36648   0.36755   0.37055   0.37342
 Alpha virt. eigenvalues --    0.37503   0.37517   0.37770   0.38092   0.38117
 Alpha virt. eigenvalues --    0.38473   0.38539   0.38640   0.38821   0.38953
 Alpha virt. eigenvalues --    0.39016   0.39558   0.39821   0.39846   0.40202
 Alpha virt. eigenvalues --    0.40313   0.40318   0.40602   0.40775   0.40939
 Alpha virt. eigenvalues --    0.41246   0.41557   0.41770   0.41992   0.42015
 Alpha virt. eigenvalues --    0.42224   0.42651   0.42661   0.42931   0.43269
 Alpha virt. eigenvalues --    0.43452   0.43806   0.43906   0.44118   0.44151
 Alpha virt. eigenvalues --    0.44597   0.45036   0.45052   0.45103   0.45324
 Alpha virt. eigenvalues --    0.45645   0.45952   0.45992   0.46054   0.46307
 Alpha virt. eigenvalues --    0.46812   0.46856   0.47239   0.47414   0.47559
 Alpha virt. eigenvalues --    0.47732   0.48027   0.48305   0.48414   0.48424
 Alpha virt. eigenvalues --    0.48767   0.48978   0.49459   0.49726   0.50099
 Alpha virt. eigenvalues --    0.50459   0.50596   0.50751   0.51263   0.51314
 Alpha virt. eigenvalues --    0.51661   0.51856   0.52021   0.52561   0.52785
 Alpha virt. eigenvalues --    0.52943   0.53508   0.53642   0.54015   0.54264
 Alpha virt. eigenvalues --    0.54832   0.55019   0.55190   0.55211   0.55573
 Alpha virt. eigenvalues --    0.55643   0.55924   0.55959   0.56533   0.56612
 Alpha virt. eigenvalues --    0.56691   0.56991   0.57552   0.57589   0.57863
 Alpha virt. eigenvalues --    0.57957   0.58115   0.58503   0.58802   0.59298
 Alpha virt. eigenvalues --    0.59345   0.59680   0.59703   0.59888   0.60245
 Alpha virt. eigenvalues --    0.60473   0.60887   0.61125   0.61351   0.61453
 Alpha virt. eigenvalues --    0.61834   0.62015   0.62321   0.62362   0.62580
 Alpha virt. eigenvalues --    0.62650   0.63071   0.63296   0.63420   0.63507
 Alpha virt. eigenvalues --    0.63724   0.64076   0.64276   0.64616   0.64730
 Alpha virt. eigenvalues --    0.64775   0.64925   0.65399   0.65662   0.65854
 Alpha virt. eigenvalues --    0.65944   0.66308   0.66322   0.66528   0.66751
 Alpha virt. eigenvalues --    0.67453   0.67528   0.67740   0.67887   0.67975
 Alpha virt. eigenvalues --    0.68021   0.68389   0.68487   0.68688   0.69215
 Alpha virt. eigenvalues --    0.69335   0.69577   0.69819   0.70274   0.70356
 Alpha virt. eigenvalues --    0.70638   0.70913   0.71252   0.71309   0.71617
 Alpha virt. eigenvalues --    0.71920   0.72542   0.72761   0.73163   0.73263
 Alpha virt. eigenvalues --    0.73275   0.73674   0.73976   0.74310   0.74334
 Alpha virt. eigenvalues --    0.74509   0.74708   0.75054   0.75270   0.75368
 Alpha virt. eigenvalues --    0.75770   0.76190   0.76270   0.76325   0.76822
 Alpha virt. eigenvalues --    0.77059   0.77113   0.77285   0.77504   0.77926
 Alpha virt. eigenvalues --    0.78073   0.78404   0.78534   0.78656   0.79218
 Alpha virt. eigenvalues --    0.79262   0.79476   0.79789   0.79914   0.79967
 Alpha virt. eigenvalues --    0.80346   0.80645   0.80906   0.81460   0.81626
 Alpha virt. eigenvalues --    0.81739   0.82012   0.82420   0.82756   0.82792
 Alpha virt. eigenvalues --    0.82969   0.83101   0.83551   0.84061   0.84275
 Alpha virt. eigenvalues --    0.84313   0.84532   0.84593   0.84722   0.84843
 Alpha virt. eigenvalues --    0.85174   0.85403   0.86251   0.86258   0.86491
 Alpha virt. eigenvalues --    0.86850   0.86880   0.87199   0.87645   0.87759
 Alpha virt. eigenvalues --    0.88181   0.88243   0.88357   0.88751   0.89131
 Alpha virt. eigenvalues --    0.89619   0.90096   0.90216   0.90573   0.90953
 Alpha virt. eigenvalues --    0.91176   0.91615   0.91822   0.92347   0.92549
 Alpha virt. eigenvalues --    0.92907   0.93099   0.93305   0.93963   0.93986
 Alpha virt. eigenvalues --    0.94469   0.94975   0.95473   0.96094   0.96718
 Alpha virt. eigenvalues --    0.97189   0.97513   0.97555   0.97693   0.98115
 Alpha virt. eigenvalues --    0.98530   0.99289   0.99574   1.00371   1.00621
 Alpha virt. eigenvalues --    1.00795   1.01131   1.01539   1.01596   1.02444
 Alpha virt. eigenvalues --    1.02886   1.02948   1.04196   1.04285   1.04892
 Alpha virt. eigenvalues --    1.05341   1.05707   1.05805   1.06162   1.06812
 Alpha virt. eigenvalues --    1.07425   1.07542   1.08410   1.08742   1.08991
 Alpha virt. eigenvalues --    1.10043   1.10387   1.10393   1.10636   1.11398
 Alpha virt. eigenvalues --    1.11607   1.12237   1.12535   1.12648   1.14051
 Alpha virt. eigenvalues --    1.14165   1.14291   1.14493   1.15944   1.16048
 Alpha virt. eigenvalues --    1.16611   1.16941   1.17046   1.17503   1.17566
 Alpha virt. eigenvalues --    1.18101   1.18329   1.18819   1.19156   1.20006
 Alpha virt. eigenvalues --    1.20360   1.20869   1.22291   1.22605   1.22864
 Alpha virt. eigenvalues --    1.23072   1.23663   1.24171   1.24662   1.24703
 Alpha virt. eigenvalues --    1.24898   1.25323   1.26069   1.26166   1.26518
 Alpha virt. eigenvalues --    1.26720   1.27102   1.27265   1.27562   1.27909
 Alpha virt. eigenvalues --    1.27985   1.28686   1.29279   1.29615   1.30374
 Alpha virt. eigenvalues --    1.31280   1.31591   1.31682   1.31839   1.32419
 Alpha virt. eigenvalues --    1.32957   1.34270   1.34722   1.34836   1.35302
 Alpha virt. eigenvalues --    1.35585   1.35811   1.36400   1.36653   1.37803
 Alpha virt. eigenvalues --    1.37857   1.38332   1.38626   1.38721   1.39499
 Alpha virt. eigenvalues --    1.40290   1.40708   1.41155   1.41178   1.41758
 Alpha virt. eigenvalues --    1.42037   1.42621   1.43070   1.43369   1.44038
 Alpha virt. eigenvalues --    1.44646   1.45021   1.45034   1.46029   1.46436
 Alpha virt. eigenvalues --    1.46963   1.47685   1.47758   1.48802   1.48897
 Alpha virt. eigenvalues --    1.49536   1.49611   1.50177   1.50423   1.51014
 Alpha virt. eigenvalues --    1.51974   1.52359   1.53079   1.53283   1.53308
 Alpha virt. eigenvalues --    1.54053   1.54288   1.55375   1.55546   1.55672
 Alpha virt. eigenvalues --    1.56469   1.57540   1.57574   1.57647   1.58126
 Alpha virt. eigenvalues --    1.58770   1.59158   1.59394   1.59489   1.59771
 Alpha virt. eigenvalues --    1.60075   1.60370   1.60867   1.60994   1.62093
 Alpha virt. eigenvalues --    1.62481   1.62772   1.63138   1.63367   1.63762
 Alpha virt. eigenvalues --    1.63782   1.64385   1.64633   1.65404   1.65672
 Alpha virt. eigenvalues --    1.65836   1.66596   1.66957   1.67333   1.67557
 Alpha virt. eigenvalues --    1.67680   1.67732   1.68142   1.68613   1.68898
 Alpha virt. eigenvalues --    1.69643   1.70031   1.70659   1.70712   1.71005
 Alpha virt. eigenvalues --    1.71014   1.71811   1.72438   1.72550   1.73224
 Alpha virt. eigenvalues --    1.73237   1.74325   1.74679   1.74959   1.75679
 Alpha virt. eigenvalues --    1.76028   1.76366   1.76716   1.77182   1.77282
 Alpha virt. eigenvalues --    1.77559   1.77981   1.79096   1.79150   1.79576
 Alpha virt. eigenvalues --    1.79763   1.80335   1.80638   1.81075   1.81392
 Alpha virt. eigenvalues --    1.81567   1.81692   1.82570   1.82876   1.82946
 Alpha virt. eigenvalues --    1.83107   1.83995   1.84248   1.84624   1.84998
 Alpha virt. eigenvalues --    1.85365   1.85752   1.86447   1.86745   1.86806
 Alpha virt. eigenvalues --    1.87487   1.87844   1.88216   1.89027   1.89351
 Alpha virt. eigenvalues --    1.89979   1.90207   1.90544   1.90779   1.91298
 Alpha virt. eigenvalues --    1.91647   1.92164   1.92197   1.92799   1.92920
 Alpha virt. eigenvalues --    1.92934   1.93386   1.93453   1.93966   1.94137
 Alpha virt. eigenvalues --    1.94842   1.95266   1.95788   1.96247   1.96667
 Alpha virt. eigenvalues --    1.97429   1.97666   1.98017   1.98484   1.98926
 Alpha virt. eigenvalues --    1.99978   2.00065   2.00450   2.00789   2.01180
 Alpha virt. eigenvalues --    2.01286   2.01973   2.02297   2.03036   2.03270
 Alpha virt. eigenvalues --    2.03597   2.04076   2.04558   2.04745   2.05562
 Alpha virt. eigenvalues --    2.05930   2.06714   2.07151   2.07721   2.08631
 Alpha virt. eigenvalues --    2.08782   2.09144   2.09526   2.09587   2.10148
 Alpha virt. eigenvalues --    2.10783   2.11210   2.11335   2.12067   2.12611
 Alpha virt. eigenvalues --    2.13477   2.13515   2.13944   2.14492   2.14526
 Alpha virt. eigenvalues --    2.15645   2.16153   2.16297   2.16952   2.17180
 Alpha virt. eigenvalues --    2.17691   2.17929   2.17948   2.19540   2.20753
 Alpha virt. eigenvalues --    2.20824   2.21452   2.22065   2.22218   2.22411
 Alpha virt. eigenvalues --    2.22667   2.23249   2.23819   2.23853   2.24347
 Alpha virt. eigenvalues --    2.24356   2.25230   2.25402   2.26092   2.26129
 Alpha virt. eigenvalues --    2.26764   2.26887   2.27720   2.27834   2.28193
 Alpha virt. eigenvalues --    2.28378   2.29492   2.30512   2.30988   2.31244
 Alpha virt. eigenvalues --    2.31705   2.32304   2.32442   2.32496   2.33250
 Alpha virt. eigenvalues --    2.34733   2.35310   2.35561   2.36411   2.36688
 Alpha virt. eigenvalues --    2.36817   2.39018   2.39539   2.39574   2.40008
 Alpha virt. eigenvalues --    2.40676   2.41166   2.41238   2.41374   2.42486
 Alpha virt. eigenvalues --    2.42558   2.43523   2.43530   2.44016   2.44582
 Alpha virt. eigenvalues --    2.45046   2.45550   2.45572   2.46194   2.46813
 Alpha virt. eigenvalues --    2.47135   2.47810   2.48097   2.48893   2.49086
 Alpha virt. eigenvalues --    2.50425   2.51006   2.51697   2.51977   2.52727
 Alpha virt. eigenvalues --    2.52991   2.53049   2.53343   2.54260   2.54439
 Alpha virt. eigenvalues --    2.55813   2.56528   2.57085   2.57328   2.57876
 Alpha virt. eigenvalues --    2.58608   2.59912   2.59996   2.60106   2.61106
 Alpha virt. eigenvalues --    2.61505   2.61906   2.62324   2.63094   2.63636
 Alpha virt. eigenvalues --    2.63912   2.64854   2.64920   2.65130   2.65313
 Alpha virt. eigenvalues --    2.66073   2.68189   2.68483   2.68661   2.69159
 Alpha virt. eigenvalues --    2.69782   2.70872   2.71023   2.72007   2.72036
 Alpha virt. eigenvalues --    2.72162   2.73387   2.73758   2.75984   2.76049
 Alpha virt. eigenvalues --    2.77205   2.77271   2.77798   2.78172   2.79567
 Alpha virt. eigenvalues --    2.80258   2.83579   2.83948   2.84086   2.85050
 Alpha virt. eigenvalues --    2.87637   2.87889   2.88911   2.89507   2.90723
 Alpha virt. eigenvalues --    2.93102   2.93172   2.94448   2.96072   2.96907
 Alpha virt. eigenvalues --    2.97242   2.97963   3.00438   3.01277   3.02906
 Alpha virt. eigenvalues --    3.04674   3.05472   3.07106   3.08748   3.15293
 Alpha virt. eigenvalues --    3.15783   3.17322   3.21669   3.22053   3.24377
 Alpha virt. eigenvalues --    3.26650   3.28866   3.29271   3.31112   3.31922
 Alpha virt. eigenvalues --    3.34208   3.35056   3.36641   3.38791   3.42594
 Alpha virt. eigenvalues --    3.44414   3.44776   3.44949   3.47452   3.48969
 Alpha virt. eigenvalues --    3.50763   3.52285   3.52614   3.52873   3.57796
 Alpha virt. eigenvalues --    3.57924   3.58862   3.60825   3.62536   3.64382
 Alpha virt. eigenvalues --    3.65397   3.67944   3.68249   3.70340   3.70410
 Alpha virt. eigenvalues --    3.72032   3.75391   3.76517   3.78028   3.81101
 Alpha virt. eigenvalues --    3.83337   3.90857   3.93029   3.97107   4.02269
 Alpha virt. eigenvalues --    4.05973   4.12384   4.15077   4.20688   4.30316
 Alpha virt. eigenvalues --    4.35254   4.36111   4.42622   4.43090   4.60223
 Alpha virt. eigenvalues --    4.60260   4.62939   4.63086   4.63321   4.63726
 Alpha virt. eigenvalues --    4.64444   4.65051   4.65803   4.65891   4.67914
 Alpha virt. eigenvalues --    4.68013   4.68839   4.69638   4.70452   4.71372
 Alpha virt. eigenvalues --    4.74406   4.74462   4.75446   4.76785   4.79518
 Alpha virt. eigenvalues --    4.80497   4.82775   4.82980   4.86168   4.87126
 Alpha virt. eigenvalues --    4.89269   4.89770   4.93905   4.94221   5.02497
 Alpha virt. eigenvalues --    5.02904   5.47520   5.50362   5.92527   6.12277
 Alpha virt. eigenvalues --    6.15061   6.18126   6.19842   6.59690   6.61583
  Beta  occ. eigenvalues -- -324.06096 -39.19038 -34.45772 -34.45722 -34.45478
  Beta  occ. eigenvalues --  -25.10989 -25.10989 -25.10905 -25.10904 -25.10798
  Beta  occ. eigenvalues --  -25.10797 -19.49862 -19.49860 -19.48847 -19.48847
  Beta  occ. eigenvalues --  -10.69900 -10.69899 -10.54740 -10.54739 -10.54043
  Beta  occ. eigenvalues --  -10.54041 -10.45964 -10.45962 -10.45937 -10.45935
  Beta  occ. eigenvalues --  -10.45304 -10.45303 -10.44606 -10.44606 -10.44300
  Beta  occ. eigenvalues --  -10.44300 -10.43898 -10.43897 -10.43351 -10.43350
  Beta  occ. eigenvalues --  -10.43177 -10.43175 -10.43022 -10.43022  -4.56207
  Beta  occ. eigenvalues --   -3.07312  -3.07284  -3.05767  -1.46746  -1.46745
  Beta  occ. eigenvalues --   -1.36788  -1.36788  -1.36544  -1.36543  -1.21046
  Beta  occ. eigenvalues --   -1.20602  -1.18830  -1.18686  -1.04902  -1.04846
  Beta  occ. eigenvalues --   -0.93778  -0.93656  -0.91541  -0.91535  -0.89962
  Beta  occ. eigenvalues --   -0.89820  -0.88041  -0.87988  -0.82870  -0.82851
  Beta  occ. eigenvalues --   -0.81585  -0.81575  -0.80799  -0.80768  -0.76710
  Beta  occ. eigenvalues --   -0.76695  -0.74011  -0.73602  -0.73323  -0.73322
  Beta  occ. eigenvalues --   -0.72386  -0.72297  -0.69509  -0.69379  -0.67647
  Beta  occ. eigenvalues --   -0.65483  -0.65192  -0.64483  -0.62780  -0.62735
  Beta  occ. eigenvalues --   -0.61317  -0.61313  -0.61060  -0.61015  -0.60886
  Beta  occ. eigenvalues --   -0.60695  -0.60163  -0.60111  -0.58461  -0.58082
  Beta  occ. eigenvalues --   -0.57788  -0.57680  -0.57364  -0.57164  -0.56830
  Beta  occ. eigenvalues --   -0.56669  -0.55876  -0.55875  -0.55362  -0.54934
  Beta  occ. eigenvalues --   -0.54916  -0.54280  -0.54077  -0.53812  -0.53476
  Beta  occ. eigenvalues --   -0.53255  -0.52765  -0.52011  -0.51928  -0.51540
  Beta  occ. eigenvalues --   -0.51314  -0.50859  -0.50789  -0.50313  -0.50291
  Beta  occ. eigenvalues --   -0.50026  -0.49750  -0.49303  -0.49162  -0.48656
  Beta  occ. eigenvalues --   -0.46472  -0.46405  -0.45816  -0.45813  -0.45321
  Beta  occ. eigenvalues --   -0.45103  -0.44254  -0.44088  -0.43407  -0.42981
  Beta  occ. eigenvalues --   -0.42249  -0.41733  -0.40789  -0.40559  -0.39353
  Beta  occ. eigenvalues --   -0.37668  -0.33857  -0.32796
  Beta virt. eigenvalues --   -0.01612  -0.01290  -0.01144  -0.00637  -0.00558
  Beta virt. eigenvalues --   -0.00287  -0.00163   0.00113   0.00310   0.00471
  Beta virt. eigenvalues --    0.00756   0.00989   0.01095   0.01186   0.01193
  Beta virt. eigenvalues --    0.01747   0.01754   0.02121   0.02429   0.02927
  Beta virt. eigenvalues --    0.03416   0.03439   0.03593   0.03979   0.04031
  Beta virt. eigenvalues --    0.04157   0.04323   0.04744   0.04873   0.05071
  Beta virt. eigenvalues --    0.05470   0.06244   0.06349   0.06666   0.06775
  Beta virt. eigenvalues --    0.06852   0.07438   0.07770   0.08194   0.08505
  Beta virt. eigenvalues --    0.08871   0.09100   0.09278   0.09297   0.09343
  Beta virt. eigenvalues --    0.09536   0.09602   0.09793   0.10068   0.10409
  Beta virt. eigenvalues --    0.10602   0.10613   0.10761   0.10824   0.11233
  Beta virt. eigenvalues --    0.11441   0.11869   0.11874   0.12098   0.12341
  Beta virt. eigenvalues --    0.12461   0.12519   0.12965   0.13108   0.13178
  Beta virt. eigenvalues --    0.13438   0.13682   0.13904   0.14005   0.14102
  Beta virt. eigenvalues --    0.14187   0.14289   0.14368   0.14568   0.14789
  Beta virt. eigenvalues --    0.15136   0.15146   0.15261   0.15323   0.15874
  Beta virt. eigenvalues --    0.16059   0.16200   0.16415   0.16477   0.16619
  Beta virt. eigenvalues --    0.16992   0.17087   0.17260   0.17463   0.17621
  Beta virt. eigenvalues --    0.17801   0.18142   0.18308   0.18317   0.18781
  Beta virt. eigenvalues --    0.18987   0.19045   0.19429   0.19706   0.20219
  Beta virt. eigenvalues --    0.20420   0.20493   0.20585   0.20724   0.20943
  Beta virt. eigenvalues --    0.21267   0.21434   0.21727   0.21972   0.22083
  Beta virt. eigenvalues --    0.22197   0.22660   0.22899   0.22905   0.23237
  Beta virt. eigenvalues --    0.23445   0.23647   0.23880   0.24071   0.24499
  Beta virt. eigenvalues --    0.24574   0.24725   0.24886   0.25070   0.25313
  Beta virt. eigenvalues --    0.25539   0.25597   0.26006   0.26159   0.26384
  Beta virt. eigenvalues --    0.26477   0.26586   0.26715   0.27013   0.27345
  Beta virt. eigenvalues --    0.27580   0.27698   0.27816   0.28152   0.28160
  Beta virt. eigenvalues --    0.28302   0.28647   0.28694   0.29115   0.29192
  Beta virt. eigenvalues --    0.29238   0.29505   0.29903   0.30027   0.30113
  Beta virt. eigenvalues --    0.30679   0.30747   0.30765   0.30841   0.31164
  Beta virt. eigenvalues --    0.31374   0.31468   0.31701   0.31979   0.32328
  Beta virt. eigenvalues --    0.32473   0.32848   0.32913   0.33439   0.33549
  Beta virt. eigenvalues --    0.33562   0.33754   0.33854   0.33862   0.34416
  Beta virt. eigenvalues --    0.34481   0.34574   0.34705   0.34818   0.34986
  Beta virt. eigenvalues --    0.35179   0.35342   0.35384   0.35754   0.35926
  Beta virt. eigenvalues --    0.36041   0.36614   0.36685   0.36784   0.37079
  Beta virt. eigenvalues --    0.37393   0.37517   0.37592   0.37801   0.38105
  Beta virt. eigenvalues --    0.38143   0.38486   0.38550   0.38657   0.38832
  Beta virt. eigenvalues --    0.38980   0.39048   0.39571   0.39838   0.39865
  Beta virt. eigenvalues --    0.40236   0.40334   0.40337   0.40613   0.40814
  Beta virt. eigenvalues --    0.40988   0.41260   0.41571   0.41804   0.42028
  Beta virt. eigenvalues --    0.42042   0.42256   0.42678   0.42689   0.42960
  Beta virt. eigenvalues --    0.43301   0.43468   0.43833   0.43926   0.44139
  Beta virt. eigenvalues --    0.44184   0.44620   0.45089   0.45099   0.45131
  Beta virt. eigenvalues --    0.45364   0.45682   0.45975   0.46015   0.46064
  Beta virt. eigenvalues --    0.46320   0.46844   0.46870   0.47249   0.47426
  Beta virt. eigenvalues --    0.47587   0.47753   0.48042   0.48320   0.48433
  Beta virt. eigenvalues --    0.48440   0.48779   0.49017   0.49478   0.49742
  Beta virt. eigenvalues --    0.50126   0.50487   0.50621   0.50770   0.51273
  Beta virt. eigenvalues --    0.51335   0.51691   0.51880   0.52043   0.52588
  Beta virt. eigenvalues --    0.52826   0.52961   0.53518   0.53661   0.54038
  Beta virt. eigenvalues --    0.54293   0.54859   0.55058   0.55213   0.55232
  Beta virt. eigenvalues --    0.55591   0.55660   0.55939   0.55977   0.56551
  Beta virt. eigenvalues --    0.56628   0.56701   0.57005   0.57580   0.57617
  Beta virt. eigenvalues --    0.57882   0.57976   0.58147   0.58521   0.58820
  Beta virt. eigenvalues --    0.59330   0.59367   0.59705   0.59722   0.59906
  Beta virt. eigenvalues --    0.60252   0.60506   0.60900   0.61138   0.61361
  Beta virt. eigenvalues --    0.61469   0.61844   0.62026   0.62338   0.62377
  Beta virt. eigenvalues --    0.62612   0.62669   0.63090   0.63307   0.63431
  Beta virt. eigenvalues --    0.63521   0.63736   0.64089   0.64287   0.64630
  Beta virt. eigenvalues --    0.64767   0.64797   0.64941   0.65414   0.65676
  Beta virt. eigenvalues --    0.65888   0.65971   0.66329   0.66344   0.66561
  Beta virt. eigenvalues --    0.66766   0.67467   0.67554   0.67765   0.67895
  Beta virt. eigenvalues --    0.67997   0.68042   0.68449   0.68517   0.68721
  Beta virt. eigenvalues --    0.69249   0.69360   0.69625   0.69846   0.70295
  Beta virt. eigenvalues --    0.70392   0.70650   0.70932   0.71268   0.71337
  Beta virt. eigenvalues --    0.71658   0.71933   0.72559   0.72789   0.73183
  Beta virt. eigenvalues --    0.73282   0.73288   0.73681   0.73995   0.74330
  Beta virt. eigenvalues --    0.74352   0.74562   0.74733   0.75117   0.75289
  Beta virt. eigenvalues --    0.75378   0.75780   0.76238   0.76275   0.76348
  Beta virt. eigenvalues --    0.76835   0.77081   0.77118   0.77329   0.77509
  Beta virt. eigenvalues --    0.77937   0.78091   0.78436   0.78623   0.78697
  Beta virt. eigenvalues --    0.79257   0.79272   0.79494   0.79812   0.79944
  Beta virt. eigenvalues --    0.79972   0.80385   0.80659   0.80915   0.81490
  Beta virt. eigenvalues --    0.81638   0.81758   0.82032   0.82430   0.82766
  Beta virt. eigenvalues --    0.82803   0.82995   0.83132   0.83570   0.84084
  Beta virt. eigenvalues --    0.84282   0.84354   0.84561   0.84603   0.84736
  Beta virt. eigenvalues --    0.84853   0.85196   0.85419   0.86262   0.86270
  Beta virt. eigenvalues --    0.86541   0.86873   0.86897   0.87219   0.87664
  Beta virt. eigenvalues --    0.87766   0.88196   0.88287   0.88381   0.88763
  Beta virt. eigenvalues --    0.89147   0.89687   0.90108   0.90239   0.90593
  Beta virt. eigenvalues --    0.90962   0.91190   0.91630   0.91874   0.92361
  Beta virt. eigenvalues --    0.92578   0.92929   0.93128   0.93334   0.93993
  Beta virt. eigenvalues --    0.94006   0.94500   0.95013   0.95488   0.96112
  Beta virt. eigenvalues --    0.96779   0.97213   0.97533   0.97566   0.97703
  Beta virt. eigenvalues --    0.98122   0.98540   0.99323   0.99581   1.00383
  Beta virt. eigenvalues --    1.00635   1.00825   1.01148   1.01554   1.01635
  Beta virt. eigenvalues --    1.02479   1.02893   1.03046   1.04211   1.04316
  Beta virt. eigenvalues --    1.04913   1.05357   1.05737   1.05842   1.06190
  Beta virt. eigenvalues --    1.06844   1.07559   1.07563   1.08447   1.08764
  Beta virt. eigenvalues --    1.09011   1.10064   1.10408   1.10414   1.10653
  Beta virt. eigenvalues --    1.11422   1.11623   1.12260   1.12551   1.12668
  Beta virt. eigenvalues --    1.14079   1.14305   1.14441   1.14584   1.15960
  Beta virt. eigenvalues --    1.16064   1.16805   1.16958   1.17056   1.17541
  Beta virt. eigenvalues --    1.17578   1.18167   1.18338   1.18838   1.19165
  Beta virt. eigenvalues --    1.20106   1.20367   1.20933   1.22310   1.22679
  Beta virt. eigenvalues --    1.22897   1.23088   1.23816   1.24204   1.24673
  Beta virt. eigenvalues --    1.24787   1.24916   1.25337   1.26083   1.26460
  Beta virt. eigenvalues --    1.26532   1.26732   1.27143   1.27276   1.27598
  Beta virt. eigenvalues --    1.27919   1.28010   1.28709   1.29373   1.29625
  Beta virt. eigenvalues --    1.30382   1.31304   1.31603   1.31708   1.31853
  Beta virt. eigenvalues --    1.32428   1.33000   1.34281   1.34730   1.34851
  Beta virt. eigenvalues --    1.35328   1.35682   1.35825   1.36419   1.36694
  Beta virt. eigenvalues --    1.37824   1.37973   1.38344   1.38632   1.38731
  Beta virt. eigenvalues --    1.39502   1.40309   1.40718   1.41170   1.41316
  Beta virt. eigenvalues --    1.41772   1.42076   1.42631   1.43122   1.43384
  Beta virt. eigenvalues --    1.44060   1.44656   1.45053   1.45220   1.46039
  Beta virt. eigenvalues --    1.46496   1.46973   1.47716   1.47777   1.48815
  Beta virt. eigenvalues --    1.48917   1.49618   1.49624   1.50197   1.50434
  Beta virt. eigenvalues --    1.51057   1.52013   1.52401   1.53124   1.53296
  Beta virt. eigenvalues --    1.53406   1.54069   1.54327   1.55399   1.55551
  Beta virt. eigenvalues --    1.55698   1.56476   1.57557   1.57589   1.57658
  Beta virt. eigenvalues --    1.58146   1.58798   1.59178   1.59401   1.59532
  Beta virt. eigenvalues --    1.59776   1.60078   1.60377   1.60884   1.61019
  Beta virt. eigenvalues --    1.62102   1.62494   1.62783   1.63144   1.63396
  Beta virt. eigenvalues --    1.63763   1.63789   1.64405   1.64662   1.65413
  Beta virt. eigenvalues --    1.65692   1.65849   1.66602   1.66975   1.67398
  Beta virt. eigenvalues --    1.67566   1.67687   1.67738   1.68150   1.68639
  Beta virt. eigenvalues --    1.68915   1.69683   1.70033   1.70682   1.70736
  Beta virt. eigenvalues --    1.71013   1.71028   1.71815   1.72453   1.72557
  Beta virt. eigenvalues --    1.73248   1.73288   1.74362   1.74708   1.74989
  Beta virt. eigenvalues --    1.75685   1.76043   1.76375   1.76743   1.77212
  Beta virt. eigenvalues --    1.77299   1.77569   1.77992   1.79108   1.79161
  Beta virt. eigenvalues --    1.79611   1.79792   1.80340   1.80653   1.81085
  Beta virt. eigenvalues --    1.81399   1.81599   1.81706   1.82592   1.82905
  Beta virt. eigenvalues --    1.82960   1.83148   1.84015   1.84266   1.84641
  Beta virt. eigenvalues --    1.85005   1.85377   1.85764   1.86530   1.86753
  Beta virt. eigenvalues --    1.86816   1.87503   1.87893   1.88242   1.89040
  Beta virt. eigenvalues --    1.89365   1.89988   1.90241   1.90603   1.90797
  Beta virt. eigenvalues --    1.91309   1.91656   1.92186   1.92207   1.92816
  Beta virt. eigenvalues --    1.92935   1.92949   1.93402   1.93463   1.93999
  Beta virt. eigenvalues --    1.94158   1.94846   1.95280   1.95826   1.96257
  Beta virt. eigenvalues --    1.96682   1.97462   1.97672   1.98067   1.98491
  Beta virt. eigenvalues --    1.98936   2.00006   2.00085   2.00456   2.00795
  Beta virt. eigenvalues --    2.01208   2.01321   2.01982   2.02336   2.03069
  Beta virt. eigenvalues --    2.03325   2.03624   2.04086   2.04570   2.04762
  Beta virt. eigenvalues --    2.05572   2.05937   2.06737   2.07181   2.07731
  Beta virt. eigenvalues --    2.08721   2.08803   2.09151   2.09537   2.09629
  Beta virt. eigenvalues --    2.10188   2.10798   2.11227   2.11361   2.12096
  Beta virt. eigenvalues --    2.12635   2.13529   2.13544   2.13950   2.14535
  Beta virt. eigenvalues --    2.14579   2.15706   2.16214   2.16317   2.16997
  Beta virt. eigenvalues --    2.17199   2.17717   2.17949   2.17990   2.19541
  Beta virt. eigenvalues --    2.20805   2.20873   2.21495   2.22086   2.22220
  Beta virt. eigenvalues --    2.22437   2.22683   2.23259   2.23864   2.23874
  Beta virt. eigenvalues --    2.24363   2.24376   2.25249   2.25411   2.26126
  Beta virt. eigenvalues --    2.26146   2.26785   2.26896   2.27754   2.27867
  Beta virt. eigenvalues --    2.28208   2.28400   2.29496   2.30533   2.31004
  Beta virt. eigenvalues --    2.31262   2.31720   2.32313   2.32456   2.32503
  Beta virt. eigenvalues --    2.33304   2.34757   2.35358   2.35566   2.36418
  Beta virt. eigenvalues --    2.36738   2.36823   2.39026   2.39560   2.39581
  Beta virt. eigenvalues --    2.40038   2.40687   2.41174   2.41279   2.41384
  Beta virt. eigenvalues --    2.42497   2.42598   2.43539   2.43552   2.44034
  Beta virt. eigenvalues --    2.44593   2.45101   2.45579   2.45586   2.46224
  Beta virt. eigenvalues --    2.46826   2.47211   2.47902   2.48110   2.48898
  Beta virt. eigenvalues --    2.49140   2.50496   2.51024   2.51720   2.51989
  Beta virt. eigenvalues --    2.52827   2.53057   2.53158   2.53352   2.54265
  Beta virt. eigenvalues --    2.54458   2.55954   2.56537   2.57104   2.57381
  Beta virt. eigenvalues --    2.57887   2.58619   2.59928   2.60001   2.60126
  Beta virt. eigenvalues --    2.61145   2.61639   2.61917   2.62411   2.63104
  Beta virt. eigenvalues --    2.63675   2.63923   2.64932   2.64960   2.65137
  Beta virt. eigenvalues --    2.65409   2.66466   2.68249   2.68493   2.68666
  Beta virt. eigenvalues --    2.69246   2.69793   2.70914   2.71026   2.72012
  Beta virt. eigenvalues --    2.72072   2.72418   2.73593   2.73762   2.76027
  Beta virt. eigenvalues --    2.76062   2.77238   2.77322   2.77810   2.78186
  Beta virt. eigenvalues --    2.79752   2.80267   2.83602   2.84011   2.84176
  Beta virt. eigenvalues --    2.85062   2.87676   2.87894   2.88923   2.89664
  Beta virt. eigenvalues --    2.90812   2.93179   2.93249   2.94549   2.96089
  Beta virt. eigenvalues --    2.96931   2.97257   2.97974   3.00506   3.01284
  Beta virt. eigenvalues --    3.02972   3.04678   3.05498   3.07135   3.08934
  Beta virt. eigenvalues --    3.15338   3.15854   3.18466   3.21840   3.22120
  Beta virt. eigenvalues --    3.24497   3.27032   3.29302   3.29498   3.31986
  Beta virt. eigenvalues --    3.32578   3.35110   3.35163   3.36976   3.38881
  Beta virt. eigenvalues --    3.42671   3.44479   3.45084   3.45255   3.47931
  Beta virt. eigenvalues --    3.49007   3.50836   3.52376   3.52678   3.53200
  Beta virt. eigenvalues --    3.57891   3.58358   3.58992   3.62006   3.63310
  Beta virt. eigenvalues --    3.64671   3.67615   3.68078   3.68397   3.70487
  Beta virt. eigenvalues --    3.71519   3.72694   3.75551   3.76677   3.78093
  Beta virt. eigenvalues --    3.81234   3.83504   3.91384   3.93236   3.97188
  Beta virt. eigenvalues --    4.02526   4.07078   4.12523   4.15563   4.20749
  Beta virt. eigenvalues --    4.32635   4.35374   4.36299   4.43276   4.43309
  Beta virt. eigenvalues --    4.60224   4.60262   4.62941   4.63086   4.63325
  Beta virt. eigenvalues --    4.63729   4.64449   4.65071   4.65804   4.65891
  Beta virt. eigenvalues --    4.67916   4.68014   4.68845   4.69665   4.70458
  Beta virt. eigenvalues --    4.71396   4.74406   4.74463   4.75464   4.76863
  Beta virt. eigenvalues --    4.79526   4.80564   4.82773   4.82979   4.86166
  Beta virt. eigenvalues --    4.87135   4.89274   4.89773   4.93911   4.94228
  Beta virt. eigenvalues --    5.02508   5.02923   5.47583   5.50409   5.94056
  Beta virt. eigenvalues --    6.13715   6.20100   6.20298   6.22117   6.65567
  Beta virt. eigenvalues --    6.67348
          Condensed to atoms (all electrons):
          Atomic-Atomic Spin Densities.
 Mulliken charges and spin densities:
               1          2
     1  C    0.983924  -0.000144
     2  C    2.414960  -0.000407
     3  C    0.892017  -0.002746
     4  C   -1.013405  -0.011863
     5  C   -0.821309   0.009416
     6  C    1.826149  -0.000543
     7  C   -4.432469  -0.000953
     8  O    0.025634   0.060720
     9  Cu   0.605405   0.746655
    10  O   -0.018209   0.061023
    11  C   -1.176565   0.003646
    12  C    0.982046   0.006901
    13  F   -0.322072   0.000328
    14  C    1.604460   0.000045
    15  C    2.311335   0.000406
    16  C    1.977409  -0.000423
    17  O    0.025355   0.060737
    18  C   -1.013432  -0.011837
    19  C   -0.819402   0.009412
    20  C   -4.433912  -0.000950
    21  C    2.415040  -0.000405
    22  C    0.891800  -0.002730
    23  C    0.983862  -0.000144
    24  C    1.826519  -0.000540
    25  C    1.978479  -0.000423
    26  C    2.310480   0.000407
    27  C    1.603650   0.000046
    28  C   -1.175463   0.003635
    29  C    0.981757   0.006900
    30  F   -0.322119   0.000327
    31  O   -0.018475   0.060986
    32  F   -0.337953   0.000382
    33  F   -0.344730   0.000021
    34  F   -0.344711   0.000022
    35  F   -0.337975   0.000382
    36  H   -0.504396  -0.000084
    37  H   -0.513952   0.000335
    38  H   -0.446176  -0.000016
    39  H   -0.544347   0.000004
    40  H   -1.083552   0.000149
    41  H   -0.240380   0.000134
    42  H   -0.278237  -0.000078
    43  H   -0.217820   0.000015
    44  H   -0.357108  -0.000019
    45  H   -0.147978   0.000046
    46  H   -0.181955  -0.000027
    47  H   -0.105808   0.000049
    48  H   -0.206268  -0.000054
    49  H   -0.026350   0.000403
    50  H   -0.278079  -0.000079
    51  H   -0.240652   0.000135
    52  H   -0.217817   0.000015
    53  H   -0.181502  -0.000027
    54  H   -0.148272   0.000046
    55  H   -0.357266  -0.000018
    56  H   -0.445922  -0.000016
    57  H   -0.544193   0.000004
    58  H   -0.513685   0.000334
    59  H   -0.504140  -0.000084
    60  H   -1.083513   0.000149
    61  H   -0.206154  -0.000054
    62  H   -0.105603   0.000049
    63  H   -0.026953   0.000403
 Sum of Mulliken charges =  -0.00000   1.00000
 Mulliken charges and spin densities with hydrogens summed into heavy atoms:
               1          2
     1  C   -0.006191  -0.000155
     2  C    1.331448  -0.000258
     3  C    0.892017  -0.002746
     4  C   -1.013405  -0.011863
     5  C   -0.821309   0.009416
     6  C    0.808325  -0.000293
     7  C   -4.432469  -0.000953
     8  O    0.025634   0.060720
     9  Cu   0.605405   0.746655
    10  O   -0.018209   0.061023
    11  C   -1.176565   0.003646
    12  C    0.982046   0.006901
    13  F   -0.322072   0.000328
    14  C    1.265750   0.000443
    15  C    1.624294   0.000406
    16  C    1.240861  -0.000352
    17  O    0.025355   0.060737
    18  C   -1.013432  -0.011837
    19  C   -0.819402   0.009412
    20  C   -4.433912  -0.000950
    21  C    1.331488  -0.000256
    22  C    0.891800  -0.002730
    23  C   -0.006661  -0.000156
    24  C    0.808171  -0.000290
    25  C    1.242042  -0.000353
    26  C    1.623438   0.000407
    27  C    1.265225   0.000443
    28  C   -1.175463   0.003635
    29  C    0.981757   0.006900
    30  F   -0.322119   0.000327
    31  O   -0.018475   0.060986
    32  F   -0.337953   0.000382
    33  F   -0.344730   0.000021
    34  F   -0.344711   0.000022
    35  F   -0.337975   0.000382
 Electronic spatial extent (au):  <R**2>=          19802.6555
 Charge=             -0.0000 electrons
 Dipole moment (field-independent basis, Debye):
    X=              0.0018    Y=             -0.0014    Z=              0.7854  Tot=              0.7854
 Quadrupole moment (field-independent basis, Debye-Ang):
   XX=           -184.4346   YY=           -227.0127   ZZ=           -207.9352
   XY=             22.7171   XZ=              0.0062   YZ=              0.0013
 Traceless Quadrupole moment (field-independent basis, Debye-Ang):
   XX=             22.0262   YY=            -20.5519   ZZ=             -1.4743
   XY=             22.7171   XZ=              0.0062   YZ=              0.0013
 Octapole moment (field-independent basis, Debye-Ang**2):
  XXX=              0.0518  YYY=              0.0074  ZZZ=            -24.2485  XYY=              0.0027
  XXY=             -0.0052  XXZ=              7.4553  XZZ=             -0.0035  YZZ=              0.0080
  YYZ=              1.0671  XYZ=             -6.7827
 Hexadecapole moment (field-independent basis, Debye-Ang**3):
 XXXX=         -18087.4028 YYYY=          -5317.7672 ZZZZ=          -1552.8552 XXXY=            -45.4897
 XXXZ=              0.0958 YYYX=           -190.9525 YYYZ=              0.0055 ZZZX=             -0.0030
 ZZZY=             -0.0187 XXYY=          -4053.5959 XXZZ=          -3396.6300 YYZZ=          -1125.2433
 XXYZ=             -0.0285 YYXZ=              0.0128 ZZXY=            -99.9713
 N-N= 4.927474494640D+03 E-N=-1.806888044106D+04  KE= 3.456609795268D+03
                          Isotropic Fermi Contact Couplings
        Atom                 a.u.       MegaHertz       Gauss      10(-4) cm-1
     1  C(13)             -0.00005      -0.05365      -0.01914      -0.01790
     2  C(13)             -0.00014      -0.16145      -0.05761      -0.05385
     3  C(13)             -0.00042      -0.47471      -0.16939      -0.15835
     4  C(13)             -0.00068      -0.76338      -0.27239      -0.25464
     5  C(13)              0.00427       4.80525       1.71463       1.60286
     6  C(13)             -0.00036      -0.40150      -0.14326      -0.13392
     7  C(13)             -0.00018      -0.20106      -0.07174      -0.06707
     8  O(17)              0.06407     -38.83744     -13.85816     -12.95478
     9  Cu(63)            -0.19735    -234.07620     -83.52421     -78.07941
    10  O(17)              0.06553     -39.72411     -14.17455     -13.25054
    11  C(13)              0.00248       2.79156       0.99610       0.93117
    12  C(13)              0.00863       9.70327       3.46237       3.23666
    13  F(19)              0.00039       1.63847       0.58465       0.54654
    14  C(13)             -0.00020      -0.22400      -0.07993      -0.07472
    15  C(13)              0.00018       0.20047       0.07153       0.06687
    16  C(13)              0.00001       0.01105       0.00394       0.00369
    17  O(17)              0.06409     -38.85220     -13.86343     -12.95970
    18  C(13)             -0.00068      -0.76414      -0.27267      -0.25489
    19  C(13)              0.00428       4.80603       1.71491       1.60312
    20  C(13)             -0.00018      -0.20168      -0.07197      -0.06727
    21  C(13)             -0.00014      -0.16132      -0.05756      -0.05381
    22  C(13)             -0.00042      -0.47452      -0.16932      -0.15828
    23  C(13)             -0.00005      -0.05385      -0.01922      -0.01796
    24  C(13)             -0.00036      -0.40063      -0.14295      -0.13363
    25  C(13)              0.00001       0.01102       0.00393       0.00368
    26  C(13)              0.00018       0.20050       0.07154       0.06688
    27  C(13)             -0.00020      -0.22386      -0.07988      -0.07467
    28  C(13)              0.00249       2.79466       0.99720       0.93220
    29  C(13)              0.00863       9.69985       3.46115       3.23552
    30  F(19)              0.00039       1.63108       0.58201       0.54407
    31  O(17)              0.06552     -39.71576     -14.17157     -13.24775
    32  F(19)              0.00058       2.45430       0.87576       0.81867
    33  F(19)             -0.00015      -0.62595      -0.22336      -0.20880
    34  F(19)             -0.00015      -0.62624      -0.22346      -0.20889
    35  F(19)              0.00058       2.44874       0.87377       0.81681
    36  H(1)               0.00005       0.21314       0.07605       0.07109
    37  H(1)               0.00003       0.11217       0.04003       0.03742
    38  H(1)              -0.00000      -0.00799      -0.00285      -0.00267
    39  H(1)              -0.00000      -0.01408      -0.00502      -0.00470
    40  H(1)               0.00002       0.10283       0.03669       0.03430
    41  H(1)              -0.00000      -0.01662      -0.00593      -0.00554
    42  H(1)              -0.00000      -0.00101      -0.00036      -0.00034
    43  H(1)              -0.00000      -0.00218      -0.00078      -0.00073
    44  H(1)              -0.00000      -0.00475      -0.00169      -0.00158
    45  H(1)               0.00003       0.11223       0.04005       0.03744
    46  H(1)               0.00000       0.00142       0.00051       0.00047
    47  H(1)               0.00000       0.01671       0.00596       0.00557
    48  H(1)               0.00001       0.04016       0.01433       0.01339
    49  H(1)               0.00001       0.03306       0.01180       0.01103
    50  H(1)              -0.00000      -0.00091      -0.00033      -0.00030
    51  H(1)              -0.00000      -0.01671      -0.00596      -0.00558
    52  H(1)              -0.00000      -0.00222      -0.00079      -0.00074
    53  H(1)               0.00000       0.00145       0.00052       0.00048
    54  H(1)               0.00003       0.11248       0.04013       0.03752
    55  H(1)              -0.00000      -0.00476      -0.00170      -0.00159
    56  H(1)              -0.00000      -0.00804      -0.00287      -0.00268
    57  H(1)              -0.00000      -0.01407      -0.00502      -0.00469
    58  H(1)               0.00003       0.11210       0.04000       0.03739
    59  H(1)               0.00005       0.21167       0.07553       0.07061
    60  H(1)               0.00002       0.10311       0.03679       0.03439
    61  H(1)               0.00001       0.04043       0.01442       0.01348
    62  H(1)               0.00000       0.01674       0.00597       0.00558
    63  H(1)               0.00001       0.03298       0.01177       0.01100
 --------------------------------------------------------
       Center         ----  Spin Dipole Couplings  ----
                      3XX-RR        3YY-RR        3ZZ-RR
 --------------------------------------------------------
     1   Atom        0.001752     -0.000927     -0.000826
     2   Atom        0.002555     -0.001150     -0.001404
     3   Atom        0.005250      0.003201     -0.008450
     4   Atom        0.019461     -0.005152     -0.014309
     5   Atom        0.009771     -0.002554     -0.007217
     6   Atom        0.001598     -0.000750     -0.000849
     7   Atom        0.002151     -0.000918     -0.001233
     8   Atom        0.016187      0.094084     -0.110272
     9   Atom        2.074160      2.126196     -4.200356
    10   Atom       -0.063536      0.165872     -0.102336
    11   Atom        0.014976     -0.003115     -0.011861
    12   Atom       -0.001297      0.008016     -0.006718
    13   Atom       -0.000192      0.002854     -0.002663
    14   Atom        0.000816      0.000586     -0.001402
    15   Atom        0.001230     -0.000584     -0.000645
    16   Atom        0.001207     -0.001041     -0.000165
    17   Atom        0.016032      0.094240     -0.110272
    18   Atom        0.019466     -0.005146     -0.014319
    19   Atom        0.009763     -0.002543     -0.007220
    20   Atom        0.002151     -0.000919     -0.001232
    21   Atom        0.002555     -0.001151     -0.001404
    22   Atom        0.005251      0.003200     -0.008451
    23   Atom        0.001753     -0.000927     -0.000825
    24   Atom        0.001598     -0.000750     -0.000848
    25   Atom        0.001206     -0.001040     -0.000166
    26   Atom        0.001229     -0.000584     -0.000646
    27   Atom        0.000815      0.000587     -0.001402
    28   Atom        0.014977     -0.003124     -0.011852
    29   Atom       -0.001292      0.008009     -0.006717
    30   Atom       -0.000188      0.002846     -0.002658
    31   Atom       -0.063362      0.165621     -0.102259
    32   Atom        0.000787      0.001286     -0.002073
    33   Atom       -0.000394      0.002215     -0.001821
    34   Atom       -0.000395      0.002215     -0.001821
    35   Atom        0.000782      0.001289     -0.002071
    36   Atom        0.000898     -0.000337     -0.000561
    37   Atom        0.001200     -0.000710     -0.000490
    38   Atom        0.001049     -0.000556     -0.000493
    39   Atom        0.001448     -0.000999     -0.000449
    40   Atom        0.001775     -0.000766     -0.001009
    41   Atom        0.001482     -0.001743      0.000261
    42   Atom        0.000643     -0.000692      0.000049
    43   Atom        0.000847     -0.000697     -0.000150
    44   Atom        0.000875     -0.000387     -0.000488
    45   Atom        0.000760     -0.000385     -0.000375
    46   Atom        0.000663     -0.000302     -0.000361
    47   Atom        0.000012      0.001769     -0.001780
    48   Atom        0.000459      0.000306     -0.000765
    49   Atom        0.000267      0.000373     -0.000640
    50   Atom        0.000643     -0.000694      0.000051
    51   Atom        0.001484     -0.001746      0.000262
    52   Atom        0.000846     -0.000697     -0.000149
    53   Atom        0.000664     -0.000303     -0.000361
    54   Atom        0.000760     -0.000385     -0.000375
    55   Atom        0.000875     -0.000387     -0.000488
    56   Atom        0.001049     -0.000556     -0.000493
    57   Atom        0.001448     -0.000998     -0.000449
    58   Atom        0.001201     -0.000711     -0.000490
    59   Atom        0.000899     -0.000338     -0.000561
    60   Atom        0.001775     -0.000766     -0.001010
    61   Atom        0.000460      0.000305     -0.000765
    62   Atom        0.000014      0.001765     -0.001779
    63   Atom        0.000267      0.000375     -0.000642
 --------------------------------------------------------
                        XY            XZ            YZ
 --------------------------------------------------------
     1   Atom        0.000211     -0.000837     -0.000013
     2   Atom       -0.000329     -0.000035      0.000038
     3   Atom       -0.001627      0.000118     -0.000450
     4   Atom        0.001975      0.000947      0.000965
     5   Atom        0.008452      0.000585      0.000361
     6   Atom        0.001161     -0.000862     -0.000346
     7   Atom        0.000168      0.000893     -0.000004
     8   Atom        0.191854      0.042776      0.052694
     9   Atom       -0.032663     -0.004538     -0.001064
    10   Atom       -0.142070     -0.028851      0.061231
    11   Atom       -0.006261     -0.000727      0.000851
    12   Atom       -0.007892     -0.000833      0.001620
    13   Atom       -0.003677      0.001163     -0.001871
    14   Atom        0.002058      0.000613      0.000620
    15   Atom        0.000428      0.000352      0.000077
    16   Atom        0.000236      0.001441      0.000100
    17   Atom        0.191870     -0.042906     -0.052825
    18   Atom        0.001987     -0.000918     -0.000951
    19   Atom        0.008463     -0.000568     -0.000353
    20   Atom        0.000171     -0.000891      0.000002
    21   Atom       -0.000328      0.000037     -0.000038
    22   Atom       -0.001629     -0.000120      0.000446
    23   Atom        0.000212      0.000838      0.000013
    24   Atom        0.001163      0.000865      0.000348
    25   Atom        0.000236     -0.001438     -0.000100
    26   Atom        0.000429     -0.000350     -0.000077
    27   Atom        0.002058     -0.000614     -0.000621
    28   Atom       -0.006254      0.000738     -0.000862
    29   Atom       -0.007893      0.000832     -0.001620
    30   Atom       -0.003670     -0.001160      0.001865
    31   Atom       -0.142125      0.028864     -0.061231
    32   Atom       -0.004457      0.002589     -0.002980
    33   Atom       -0.002567      0.000516     -0.000705
    34   Atom       -0.002567     -0.000515      0.000706
    35   Atom       -0.004450     -0.002583      0.002977
    36   Atom        0.000834      0.000493      0.000247
    37   Atom        0.001493      0.001630      0.000853
    38   Atom        0.000119      0.000431      0.000014
    39   Atom       -0.000044      0.001278     -0.000038
    40   Atom       -0.000515     -0.000161     -0.000005
    41   Atom        0.000105     -0.002671     -0.000027
    42   Atom        0.000460     -0.001126     -0.000330
    43   Atom       -0.000067     -0.000963      0.000053
    44   Atom        0.000349     -0.000015      0.000005
    45   Atom        0.000103     -0.000281     -0.000015
    46   Atom        0.000419     -0.000373     -0.000146
    47   Atom        0.002266     -0.000128     -0.000163
    48   Atom        0.001106     -0.000273     -0.000277
    49   Atom        0.001722     -0.001141     -0.001291
    50   Atom        0.000462      0.001128      0.000332
    51   Atom        0.000103      0.002675      0.000026
    52   Atom       -0.000067      0.000964     -0.000053
    53   Atom        0.000419      0.000374      0.000146
    54   Atom        0.000103      0.000282      0.000015
    55   Atom        0.000348      0.000016     -0.000004
    56   Atom        0.000118     -0.000430     -0.000013
    57   Atom       -0.000046     -0.001276      0.000039
    58   Atom        0.001489     -0.001628     -0.000850
    59   Atom        0.000833     -0.000493     -0.000246
    60   Atom       -0.000517      0.000162      0.000005
    61   Atom        0.001105      0.000273      0.000276
    62   Atom        0.002265      0.000126      0.000160
    63   Atom        0.001723      0.001141      0.001290
 --------------------------------------------------------


 ---------------------------------------------------------------------------------
              Anisotropic Spin Dipole Couplings in Principal Axis System
 ---------------------------------------------------------------------------------

       Atom             a.u.   MegaHertz   Gauss  10(-4) cm-1        Axes

              Baa    -0.0011    -0.146    -0.052    -0.049  0.2897 -0.3058  0.9070
     1 C(13)  Bbb    -0.0009    -0.124    -0.044    -0.041  0.0230  0.9496  0.3128
              Bcc     0.0020     0.270     0.096     0.090  0.9568  0.0698 -0.2822
 
              Baa    -0.0014    -0.189    -0.068    -0.063 -0.0036 -0.1495  0.9888
     2 C(13)  Bbb    -0.0012    -0.158    -0.056    -0.053  0.0883  0.9849  0.1492
              Bcc     0.0026     0.347     0.124     0.116  0.9961 -0.0879 -0.0096
 
              Baa    -0.0085    -1.136    -0.405    -0.379 -0.0041  0.0380  0.9993
     3 C(13)  Bbb     0.0023     0.310     0.111     0.104  0.4854  0.8738 -0.0313
              Bcc     0.0062     0.826     0.295     0.275  0.8743 -0.4849  0.0220
 
              Baa    -0.0144    -1.936    -0.691    -0.646 -0.0220 -0.0988  0.9949
     4 C(13)  Bbb    -0.0052    -0.701    -0.250    -0.234 -0.0831  0.9918  0.0967
              Bcc     0.0196     2.637     0.941     0.880  0.9963  0.0805  0.0301
 
              Baa    -0.0072    -0.972    -0.347    -0.324  0.0361 -0.1412  0.9893
     5 C(13)  Bbb    -0.0068    -0.918    -0.328    -0.306 -0.4528  0.8802  0.1422
              Bcc     0.0141     1.891     0.675     0.631  0.8909  0.4531  0.0322
 
              Baa    -0.0012    -0.165    -0.059    -0.055 -0.3954  0.9164 -0.0620
     6 C(13)  Bbb    -0.0011    -0.150    -0.054    -0.050  0.2334  0.1656  0.9582
              Bcc     0.0023     0.315     0.112     0.105  0.8884  0.3644 -0.2794
 
              Baa    -0.0015    -0.196    -0.070    -0.065 -0.2430  0.0824  0.9665
     7 C(13)  Bbb    -0.0009    -0.124    -0.044    -0.041 -0.0278  0.9954 -0.0918
              Bcc     0.0024     0.319     0.114     0.107  0.9696  0.0492  0.2396
 
              Baa    -0.1406    10.176     3.631     3.394  0.7728 -0.6345  0.0123
     8 O(17)  Bbb    -0.1226     8.871     3.166     2.959 -0.1228 -0.1305  0.9838
              Bcc     0.2632   -19.048    -6.797    -6.354  0.6226  0.7618  0.1788
 
              Baa    -4.2004  -594.694  -212.202  -198.369  0.0007  0.0002  1.0000
     9 Cu(63) Bbb     2.0584   291.435   103.991    97.212  0.9008  0.4341 -0.0007
              Bcc     2.1419   303.259   108.210   101.156 -0.4341  0.9008  0.0002
 
              Baa    -0.1314     9.511     3.394     3.172  0.9003  0.4348 -0.0223
    10 O(17)  Bbb    -0.1154     8.354     2.981     2.786  0.1025 -0.1619  0.9815
              Bcc     0.2469   -17.864    -6.374    -5.959 -0.4231  0.8859  0.1903
 
              Baa    -0.0119    -1.603    -0.572    -0.535  0.0055 -0.0921  0.9957
    11 C(13)  Bbb    -0.0050    -0.674    -0.240    -0.225  0.3006  0.9499  0.0862
              Bcc     0.0170     2.276     0.812     0.759  0.9537 -0.2988 -0.0329
 
              Baa    -0.0069    -0.925    -0.330    -0.309 -0.0174 -0.1171  0.9930
    12 C(13)  Bbb    -0.0058    -0.778    -0.278    -0.260  0.8696  0.4883  0.0729
              Bcc     0.0127     1.703     0.608     0.568 -0.4934  0.8648  0.0933
 
              Baa    -0.0032    -1.626    -0.580    -0.543 -0.0394  0.2715  0.9616
    13 F(19)  Bbb    -0.0026    -1.326    -0.473    -0.442  0.8432  0.5255 -0.1139
              Bcc     0.0059     2.952     1.054     0.985 -0.5362  0.8063 -0.2496
 
              Baa    -0.0016    -0.212    -0.076    -0.071 -0.0537 -0.2273  0.9723
    14 C(13)  Bbb    -0.0014    -0.182    -0.065    -0.061 -0.7007  0.7023  0.1255
              Bcc     0.0029     0.394     0.141     0.131  0.7114  0.6746  0.1970
 
              Baa    -0.0007    -0.095    -0.034    -0.032 -0.1846  0.0287  0.9824
    15 C(13)  Bbb    -0.0007    -0.091    -0.033    -0.030 -0.2064  0.9762 -0.0673
              Bcc     0.0014     0.186     0.067     0.062  0.9609  0.2152  0.1743
 
              Baa    -0.0011    -0.149    -0.053    -0.050 -0.4493  0.6467  0.6164
    16 C(13)  Bbb    -0.0010    -0.138    -0.049    -0.046  0.2947  0.7586 -0.5811
              Bcc     0.0021     0.287     0.102     0.096  0.8434  0.0794  0.5314
 
              Baa    -0.1407    10.180     3.632     3.396  0.7734 -0.6339 -0.0100
    17 O(17)  Bbb    -0.1227     8.876     3.167     2.961  0.1212  0.1324  0.9838
              Bcc     0.2633   -19.056    -6.799    -6.356  0.6223  0.7620 -0.1792
 
              Baa    -0.0144    -1.937    -0.691    -0.646  0.0212  0.0973  0.9950
    18 C(13)  Bbb    -0.0052    -0.701    -0.250    -0.234 -0.0834  0.9920 -0.0952
              Bcc     0.0197     2.637     0.941     0.880  0.9963  0.0809 -0.0292
 
              Baa    -0.0072    -0.973    -0.347    -0.324 -0.0369  0.1405  0.9894
    19 C(13)  Bbb    -0.0068    -0.919    -0.328    -0.306 -0.4533  0.8800 -0.1419
              Bcc     0.0141     1.891     0.675     0.631  0.8906  0.4537 -0.0313
 
              Baa    -0.0015    -0.195    -0.070    -0.065  0.2427 -0.0816  0.9667
    20 C(13)  Bbb    -0.0009    -0.124    -0.044    -0.041 -0.0289  0.9954  0.0913
              Bcc     0.0024     0.319     0.114     0.107  0.9697  0.0500 -0.2392
 
              Baa    -0.0014    -0.189    -0.067    -0.063  0.0033  0.1505  0.9886
    21 C(13)  Bbb    -0.0012    -0.158    -0.056    -0.053  0.0880  0.9847 -0.1502
              Bcc     0.0026     0.347     0.124     0.116  0.9961 -0.0875  0.0100
 
              Baa    -0.0085    -1.136    -0.405    -0.379  0.0042 -0.0376  0.9993
    22 C(13)  Bbb     0.0023     0.310     0.111     0.103  0.4854  0.8737  0.0309
              Bcc     0.0062     0.826     0.295     0.276  0.8743 -0.4849 -0.0220
 
              Baa    -0.0011    -0.146    -0.052    -0.049 -0.2903  0.3058  0.9068
    23 C(13)  Bbb    -0.0009    -0.124    -0.044    -0.041  0.0226  0.9495 -0.3130
              Bcc     0.0020     0.270     0.097     0.090  0.9567  0.0703  0.2825
 
              Baa    -0.0012    -0.165    -0.059    -0.055 -0.3960  0.9161  0.0622
    24 C(13)  Bbb    -0.0011    -0.150    -0.054    -0.050 -0.2338 -0.1661  0.9580
              Bcc     0.0023     0.315     0.112     0.105  0.8880  0.3648  0.2800
 
              Baa    -0.0011    -0.149    -0.053    -0.050 -0.4495  0.6456 -0.6174
    25 C(13)  Bbb    -0.0010    -0.138    -0.049    -0.046  0.2938  0.7595  0.5804
              Bcc     0.0021     0.286     0.102     0.096  0.8436  0.0795 -0.5310
 
              Baa    -0.0007    -0.095    -0.034    -0.032  0.1840 -0.0291  0.9825
    26 C(13)  Bbb    -0.0007    -0.091    -0.033    -0.030 -0.2068  0.9760  0.0676
              Bcc     0.0014     0.186     0.067     0.062  0.9609  0.2157 -0.1736
 
              Baa    -0.0016    -0.212    -0.076    -0.071  0.0534  0.2279  0.9722
    27 C(13)  Bbb    -0.0014    -0.182    -0.065    -0.061 -0.7009  0.7020 -0.1261
              Bcc     0.0029     0.394     0.141     0.132  0.7112  0.6747 -0.1972
 
              Baa    -0.0119    -1.602    -0.572    -0.534 -0.0056  0.0934  0.9956
    28 C(13)  Bbb    -0.0050    -0.674    -0.240    -0.225  0.3002  0.9498 -0.0875
              Bcc     0.0170     2.276     0.812     0.759  0.9538 -0.2984  0.0334
 
              Baa    -0.0069    -0.925    -0.330    -0.309  0.0178  0.1174  0.9929
    29 C(13)  Bbb    -0.0058    -0.778    -0.278    -0.259  0.8695  0.4885 -0.0734
              Bcc     0.0127     1.703     0.608     0.568 -0.4937  0.8646 -0.0933
 
              Baa    -0.0032    -1.623    -0.579    -0.541  0.0397 -0.2711  0.9617
    30 F(19)  Bbb    -0.0026    -1.323    -0.472    -0.441  0.8429  0.5259  0.1135
              Bcc     0.0059     2.946     1.051     0.983 -0.5365  0.8062  0.2494
 
              Baa    -0.1314     9.507     3.392     3.171  0.8999  0.4355  0.0238
    31 O(17)  Bbb    -0.1154     8.349     2.979     2.785 -0.1040  0.1613  0.9814
              Bcc     0.2468   -17.856    -6.371    -5.956 -0.4236  0.8856 -0.1904
 
              Baa    -0.0038    -1.916    -0.684    -0.639  0.0191  0.5168  0.8559
    32 F(19)  Bbb    -0.0034    -1.691    -0.603    -0.564  0.7783  0.5297 -0.3371
              Bcc     0.0072     3.607     1.287     1.203 -0.6276  0.6726 -0.3921
 
              Baa    -0.0020    -1.020    -0.364    -0.340  0.6866  0.3055 -0.6598
    33 F(19)  Bbb    -0.0019    -0.949    -0.339    -0.317  0.5096  0.4451  0.7363
              Bcc     0.0039     1.970     0.703     0.657 -0.5186  0.8418 -0.1499
 
              Baa    -0.0020    -1.020    -0.364    -0.340  0.6884  0.3067  0.6573
    34 F(19)  Bbb    -0.0019    -0.950    -0.339    -0.317 -0.5073 -0.4441  0.7385
              Bcc     0.0039     1.970     0.703     0.657 -0.5184  0.8418  0.1501
 
              Baa    -0.0038    -1.913    -0.683    -0.638 -0.0187 -0.5163  0.8562
    35 F(19)  Bbb    -0.0034    -1.688    -0.602    -0.563  0.7786  0.5297  0.3365
              Bcc     0.0072     3.602     1.285     1.201 -0.6273  0.6729  0.3920
 
              Baa    -0.0008    -0.404    -0.144    -0.135 -0.4577  0.8885  0.0336
    36 H(1)   Bbb    -0.0007    -0.379    -0.135    -0.127 -0.2184 -0.1490  0.9644
              Bcc     0.0015     0.784     0.280     0.261  0.8619  0.4341  0.2622
 
              Baa    -0.0015    -0.821    -0.293    -0.274 -0.5943  0.7358  0.3247
    37 H(1)   Bbb    -0.0015    -0.774    -0.276    -0.258 -0.2071 -0.5300  0.8223
              Bcc     0.0030     1.595     0.569     0.532  0.7772  0.4214  0.4674
 
              Baa    -0.0006    -0.326    -0.116    -0.109 -0.2592  0.3346  0.9060
    38 H(1)   Bbb    -0.0006    -0.298    -0.106    -0.099  0.0221  0.9399 -0.3408
              Bcc     0.0012     0.624     0.223     0.208  0.9656  0.0683  0.2510
 
              Baa    -0.0011    -0.584    -0.208    -0.195 -0.4420  0.1515  0.8841
    39 H(1)   Bbb    -0.0010    -0.533    -0.190    -0.178  0.0843  0.9883 -0.1272
              Bcc     0.0021     1.117     0.398     0.372  0.8931 -0.0183  0.4496
 
              Baa    -0.0010    -0.547    -0.195    -0.183  0.0937  0.2058  0.9741
    40 H(1)   Bbb    -0.0009    -0.458    -0.163    -0.153  0.1744  0.9599 -0.2195
              Bcc     0.0019     1.005     0.359     0.335  0.9802 -0.1904 -0.0541
 
              Baa    -0.0019    -1.004    -0.358    -0.335  0.5975 -0.3070  0.7408
    41 H(1)   Bbb    -0.0017    -0.923    -0.329    -0.308  0.1777  0.9515  0.2510
              Bcc     0.0036     1.928     0.688     0.643  0.7819  0.0184 -0.6231
 
              Baa    -0.0008    -0.450    -0.161    -0.150 -0.5138  0.7789 -0.3597
    42 H(1)   Bbb    -0.0008    -0.429    -0.153    -0.143  0.3763  0.5814  0.7214
              Bcc     0.0016     0.879     0.314     0.293  0.7710  0.2353 -0.5917
 
              Baa    -0.0007    -0.394    -0.141    -0.131  0.4942 -0.2545  0.8313
    43 H(1)   Bbb    -0.0007    -0.372    -0.133    -0.124  0.1652  0.9663  0.1976
              Bcc     0.0014     0.766     0.273     0.256  0.8535 -0.0397 -0.5196
 
              Baa    -0.0005    -0.263    -0.094    -0.088  0.1263 -0.4562  0.8809
    44 H(1)   Bbb    -0.0005    -0.252    -0.090    -0.084 -0.2156  0.8541  0.4733
              Bcc     0.0010     0.515     0.184     0.172  0.9683  0.2496 -0.0095
 
              Baa    -0.0004    -0.236    -0.084    -0.079  0.2384 -0.1740  0.9554
    45 H(1)   Bbb    -0.0004    -0.209    -0.075    -0.070 -0.0418  0.9811  0.1891
              Bcc     0.0008     0.445     0.159     0.149  0.9703  0.0850 -0.2266
 
              Baa    -0.0005    -0.259    -0.092    -0.086  0.1957  0.2966  0.9347
    46 H(1)   Bbb    -0.0005    -0.244    -0.087    -0.081 -0.4008  0.8941 -0.1998
              Bcc     0.0009     0.503     0.180     0.168  0.8950  0.3356 -0.2938
 
              Baa    -0.0018    -0.955    -0.341    -0.318  0.0665  0.0033  0.9978
    47 H(1)   Bbb    -0.0015    -0.821    -0.293    -0.274  0.8227 -0.5661 -0.0530
              Bcc     0.0033     1.776     0.634     0.592  0.5646  0.8244 -0.0404
 
              Baa    -0.0008    -0.444    -0.158    -0.148  0.0202  0.2176  0.9758
    48 H(1)   Bbb    -0.0007    -0.386    -0.138    -0.129 -0.6935  0.7061 -0.1431
              Bcc     0.0016     0.830     0.296     0.277  0.7202  0.6738 -0.1651
 
              Baa    -0.0015    -0.812    -0.290    -0.271 -0.1049  0.6229  0.7752
    49 H(1)   Bbb    -0.0014    -0.726    -0.259    -0.242  0.7779 -0.4343  0.4542
              Bcc     0.0029     1.539     0.549     0.513  0.6196  0.6507 -0.4390
 
              Baa    -0.0008    -0.451    -0.161    -0.150 -0.5130  0.7805  0.3573
    50 H(1)   Bbb    -0.0008    -0.430    -0.153    -0.143 -0.3780 -0.5791  0.7223
              Bcc     0.0017     0.881     0.314     0.294  0.7707  0.2355  0.5921
 
              Baa    -0.0019    -1.006    -0.359    -0.336 -0.5974  0.3078  0.7406
    51 H(1)   Bbb    -0.0017    -0.925    -0.330    -0.309  0.1785  0.9513 -0.2514
              Bcc     0.0036     1.931     0.689     0.644  0.7819  0.0180  0.6232
 
              Baa    -0.0007    -0.394    -0.141    -0.132 -0.4945  0.2565  0.8305
    52 H(1)   Bbb    -0.0007    -0.372    -0.133    -0.124  0.1663  0.9657 -0.1992
              Bcc     0.0014     0.767     0.274     0.256  0.8531 -0.0396  0.5202
 
              Baa    -0.0005    -0.259    -0.092    -0.086 -0.1962 -0.2966  0.9346
    53 H(1)   Bbb    -0.0005    -0.244    -0.087    -0.081 -0.4006  0.8942  0.1996
              Bcc     0.0009     0.503     0.180     0.168  0.8950  0.3353  0.2943
 
              Baa    -0.0004    -0.236    -0.084    -0.079 -0.2391  0.1751  0.9551
    54 H(1)   Bbb    -0.0004    -0.209    -0.075    -0.070 -0.0410  0.9809 -0.1901
              Bcc     0.0008     0.446     0.159     0.149  0.9701  0.0846  0.2273
 
              Baa    -0.0005    -0.263    -0.094    -0.088 -0.1265  0.4563  0.8808
    55 H(1)   Bbb    -0.0005    -0.252    -0.090    -0.084 -0.2148  0.8542 -0.4734
              Bcc     0.0010     0.515     0.184     0.172  0.9684  0.2491  0.0100
 
              Baa    -0.0006    -0.326    -0.116    -0.109  0.2584 -0.3345  0.9063
    56 H(1)   Bbb    -0.0006    -0.298    -0.106    -0.099  0.0223  0.9400  0.3406
              Bcc     0.0012     0.624     0.223     0.208  0.9658  0.0678 -0.2504
 
              Baa    -0.0011    -0.583    -0.208    -0.195  0.4415 -0.1513  0.8844
    57 H(1)   Bbb    -0.0010    -0.532    -0.190    -0.177  0.0846  0.9883  0.1268
              Bcc     0.0021     1.115     0.398     0.372  0.8933 -0.0188 -0.4491
 
              Baa    -0.0015    -0.820    -0.293    -0.273 -0.5946  0.7338 -0.3287
    58 H(1)   Bbb    -0.0014    -0.773    -0.276    -0.258  0.2046  0.5334  0.8207
              Bcc     0.0030     1.593     0.568     0.531  0.7776  0.4208 -0.4673
 
              Baa    -0.0008    -0.404    -0.144    -0.135 -0.4568  0.8890 -0.0327
    59 H(1)   Bbb    -0.0007    -0.379    -0.135    -0.127  0.2187  0.1479  0.9645
              Bcc     0.0015     0.783     0.279     0.261  0.8623  0.4334 -0.2620
 
              Baa    -0.0010    -0.548    -0.195    -0.183 -0.0943 -0.2055  0.9741
    60 H(1)   Bbb    -0.0009    -0.458    -0.163    -0.153  0.1747  0.9599  0.2194
              Bcc     0.0019     1.006     0.359     0.335  0.9801 -0.1909  0.0546
 
              Baa    -0.0008    -0.444    -0.158    -0.148 -0.0205 -0.2172  0.9759
    61 H(1)   Bbb    -0.0007    -0.386    -0.138    -0.129 -0.6932  0.7065  0.1427
              Bcc     0.0016     0.830     0.296     0.277  0.7205  0.6736  0.1650
 
              Baa    -0.0018    -0.954    -0.340    -0.318 -0.0662 -0.0028  0.9978
    62 H(1)   Bbb    -0.0015    -0.821    -0.293    -0.274  0.8224 -0.5665  0.0530
              Bcc     0.0033     1.775     0.633     0.592  0.5651  0.8241  0.0398
 
              Baa    -0.0015    -0.813    -0.290    -0.271  0.1049 -0.6226  0.7755
    63 H(1)   Bbb    -0.0014    -0.726    -0.259    -0.242  0.7778 -0.4345 -0.4540
              Bcc     0.0029     1.539     0.549     0.513  0.6196  0.6509  0.4387
 

 ---------------------------------------------------------------------------------

 No NMR shielding tensors so no spin-rotation constants.
 Leave Link  601 at Sun Aug 29 04:47:29 2021, MaxMem= 16106127360 cpu:              45.6 elap:               7.4
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l716.exe)
 Electric field and nuclear coordinate derivatives read from checkpoint file.
 Rotating derivatives to standard orientation.
 Dipole        = 6.14305810D-04-5.78048231D-04 2.81598286D-01
 Polarizability= 4.22616738D+02 2.95663908D+01 3.16039506D+02
                 8.19782730D-04-1.59480021D-03 2.42463211D+02
 Translational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 2      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 3      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 4     -0.0000    0.0000       -0.0000    0.0000        0.0000    0.0000
 5      0.0000    0.0000        0.0000    0.0000        0.0000    0.0000
 6      0.0000    0.0000       -0.0000    0.0000       -0.0000    0.0000
 Translational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1      0.0008    0.0000       -0.0032   -0.0032       17.6335   17.6250
 2     -0.0012    0.0032        0.0005    0.0014      -30.2767  -30.2773
 3    -17.6309  -17.6250       74.1286   74.1308       -0.0012   -0.0014
 4     -0.0008   -0.0014        0.0001    0.0000      -17.6252  -17.6250
 5    -43.8528  -43.8535       17.6263   17.6250       -0.0035   -0.0032
 6      0.0018    0.0014        0.0045    0.0032        0.0001    0.0000
 Translational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0000    0.0000        0.0095    0.0095       52.8750   52.8750
 2     -0.0042   -0.0042       -0.0000    0.0000       52.8751   52.8750
 3     -0.0042   -0.0042        0.0095    0.0095       -0.0000    0.0000
 4      0.0096    0.0095        0.0042    0.0042      -90.8318  -90.8318
 5    -52.8752  -52.8750      222.3924  222.3924       -0.0042   -0.0042
 6   -131.5606 -131.5606       52.8749   52.8750       -0.0095   -0.0095
 Rotational dAlpha, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0196    0.0000       -0.0069    0.0127      -74.6768  -70.5001
 2      0.0164   -0.0127        0.0422   -0.0056      120.7446  121.1090
 3     71.3590   70.5001     -296.8731 -296.5232        0.0064    0.0056
 4      0.0401    0.0056       -0.0260    0.0000       70.6569   70.5001
 5    175.7556  175.4142      -70.2342  -70.5001       -0.0757    0.0127
 6     -0.0096   -0.0056        0.0052   -0.0127       -0.1750    0.0000
 Rotational dG, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0644    0.0000        0.2441    0.0637      -31.3441  -29.7721
 2      0.1829   -0.0637       -0.1799    0.0295     -120.5798 -118.4019
 3     27.4489   29.7721      -77.0474  -77.1943       -0.2149   -0.0295
 4      0.1108   -0.0295       -0.0387    0.0000       31.5036   29.7721
 5    194.8927  195.5962      -34.1467  -29.7721        0.3125    0.0637
 6     -0.0733    0.0295       -0.0502   -0.0637        1.0647    0.0000
 Rotational dA, IFr= 1:
                x                       y                       z
         lhs       rhs           lhs       rhs           lhs       rhs
 1     -0.0124   -0.0742       -0.1738   -0.0846       89.8515   92.6184
 2      0.1084   -0.0934        0.0632   -0.0801       92.7524   92.6184
 3      0.1370   -0.0934        0.1237   -0.0846      113.2212  112.2343
 4     -0.1413   -0.0045       -0.4126    0.0191     -151.7860 -149.8572
 5     22.7556   19.6159     -155.0603 -155.8900       -0.2950   -0.0191
 6    305.3276  305.7472      -24.0861  -19.6159        1.0104    0.0045
 Full mass-weighted force constant matrix:
 Low frequencies ---   -3.7416   -1.2531   -0.0041   -0.0028    0.0006    1.8250
 Low frequencies ---    7.7818   13.3987   28.8642
 Diagonal vibrational polarizability:
       80.1589347      46.6817003     340.2740556
 Harmonic frequencies (cm**-1), IR intensities (KM/Mole), Raman scattering
 activities (A**4/AMU), depolarization ratios for plane and unpolarized
 incident light, reduced masses (AMU), force constants (mDyne/A),
 Raman invariants Alpha2 = alpha**2, Beta2 = beta(alpha)**2 (A**4/AMU)
 ROA invariants AlphaG = alphaG', Gamma2 = beta(G')**2, Delta2 = beta(A)**2, (10**4 A**5/AMU)
 Far-From-Resonance Raman intensities (K), ROA intensites (10**4 K), CID=(ROA/Raman)*10**4
    Raman1;ROA1;CID1 =ICPu/SCPu(180), Raman2;ROA2;CID2 =ICPd/SCPd(90)
    Raman3;ROA3;CID3 =DCPI(180) RC180 = degree of circularity
 and normal coordinates:
 Incident light (cm**-1):   18796.99
                      1                      2                      3
                      A                      A                      A
 Frequencies --      7.7785                13.3975                28.8604
 Red. masses --      6.1932                 6.0322                11.8290
 Frc consts  --      0.0002                 0.0006                 0.0058
 IR Inten    --      0.6721                 0.1011                 0.0797
 RamAct Fr= 1--      0.1732                 0.0500                 0.0044
  Dep-P Fr= 1--      0.7500                 0.6684                 0.7499
  Dep-U Fr= 1--      0.8571                 0.8012                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0000
 Beta2  Fr= 1--      0.0247                 0.0067                 0.0006
 AlphaG Fr= 1--     -0.0001                -0.0025                 0.0000
 Gamma2 Fr= 1--     -1.4328                -0.4216                -0.0246
 Delta2 Fr= 1--     -0.9476                -0.0350                -0.0053
 Raman1 Fr= 1--       0.693                  0.200                  0.018
 ROA1   Fr= 1--    -167.874                -41.590                 -2.536
 CID1   Fr= 1--    -242.289               -207.832               -142.745
 Raman2 Fr= 1--       0.297                  0.080                  0.008
 ROA2   Fr= 1--     -26.806                 -9.838                 -0.549
 CID2   Fr= 1--     -90.275               -122.716                -72.110
 Raman3 Fr= 1--       0.594                  0.160                  0.015
 ROA3   Fr= 1--    -167.874                -41.590                 -2.536
 CID3   Fr= 1--    -282.671               -259.390               -166.551
 RC180  Fr= 1--       0.714                  0.602                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.06  -0.06    -0.08   0.05  -0.09    -0.07   0.07  -0.01
     2   6     0.00  -0.00  -0.03     0.00   0.01  -0.08    -0.01   0.03  -0.02
     3   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.01   0.00   0.03
     4   6     0.00   0.00  -0.04     0.00  -0.00   0.06    -0.02  -0.01   0.07
     5   6     0.01   0.01  -0.10     0.01   0.00   0.02    -0.04   0.01   0.07
     6   6    -0.02  -0.05  -0.11    -0.08   0.04  -0.01    -0.08   0.06   0.05
     7   6     0.02   0.04  -0.08     0.06  -0.01  -0.06     0.01   0.00   0.01
     8   8     0.00   0.00  -0.04     0.00  -0.01   0.13    -0.03  -0.03   0.09
     9  29    -0.00  -0.00   0.02    -0.00   0.00   0.12    -0.01  -0.04   0.00
    10   8    -0.00  -0.01   0.08    -0.00  -0.00   0.09     0.01  -0.03   0.06
    11   6    -0.00  -0.01   0.06    -0.00   0.00   0.02     0.01  -0.01   0.05
    12   6    -0.01  -0.02   0.11    -0.01   0.01  -0.04     0.04   0.00   0.03
    13   9     0.02   0.04   0.12     0.08   0.00  -0.09     0.29   0.12  -0.07
    14   6     0.02   0.03  -0.16     0.03  -0.02   0.08    -0.04  -0.02   0.12
    15   6     0.02   0.05  -0.13     0.06  -0.01  -0.13    -0.00   0.02  -0.02
    16   6     0.04   0.10  -0.06     0.14  -0.05  -0.04     0.06  -0.04   0.01
    17   8    -0.00  -0.00  -0.04    -0.00   0.01   0.13    -0.03  -0.03  -0.09
    18   6    -0.00  -0.00  -0.04    -0.00   0.00   0.06    -0.02  -0.01  -0.07
    19   6    -0.01  -0.01  -0.10    -0.01  -0.00   0.02    -0.04   0.00  -0.07
    20   6    -0.02  -0.04  -0.08    -0.06   0.01  -0.06     0.00   0.00  -0.01
    21   6    -0.00   0.00  -0.03    -0.00  -0.01  -0.08    -0.01   0.03   0.02
    22   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.01   0.00  -0.03
    23   6     0.02   0.06  -0.06     0.08  -0.05  -0.09    -0.07   0.07   0.01
    24   6     0.02   0.05  -0.11     0.08  -0.04  -0.01    -0.08   0.06  -0.05
    25   6    -0.04  -0.10  -0.06    -0.14   0.05  -0.04     0.06  -0.04  -0.01
    26   6    -0.02  -0.05  -0.13    -0.06   0.01  -0.13    -0.00   0.02   0.02
    27   6    -0.02  -0.03  -0.16    -0.03   0.02   0.08    -0.04  -0.02  -0.12
    28   6     0.00   0.01   0.06     0.00  -0.00   0.02     0.01  -0.01  -0.05
    29   6     0.01   0.02   0.11     0.01  -0.01  -0.04     0.04   0.00  -0.03
    30   9    -0.02  -0.04   0.12    -0.08  -0.00  -0.09     0.29   0.12   0.08
    31   8     0.00   0.01   0.08     0.00   0.00   0.09     0.01  -0.03  -0.06
    32   9     0.02   0.07   0.09     0.08  -0.03  -0.11    -0.17  -0.02   0.16
    33   9     0.01   0.03   0.18     0.02  -0.01   0.01     0.03  -0.06  -0.29
    34   9    -0.01  -0.03   0.18    -0.02   0.01   0.01     0.03  -0.06   0.29
    35   9    -0.02  -0.07   0.09    -0.08   0.03  -0.11    -0.17  -0.02  -0.16
    36   1     0.02   0.06  -0.16     0.09  -0.04  -0.04    -0.09   0.07  -0.05
    37   1     0.03   0.09  -0.11     0.12  -0.05   0.04    -0.11   0.07  -0.08
    38   1     0.02   0.07  -0.09     0.09  -0.05  -0.15    -0.07   0.09   0.05
    39   1     0.03   0.10  -0.03     0.13  -0.06  -0.08    -0.09   0.08   0.01
    40   1    -0.01  -0.01   0.00    -0.02  -0.01  -0.14     0.01   0.03   0.06
    41   1    -0.04  -0.10  -0.02    -0.14   0.06   0.01     0.06  -0.06  -0.04
    42   1    -0.06  -0.13  -0.10    -0.18   0.07  -0.02     0.07  -0.06  -0.04
    43   1    -0.05  -0.12  -0.04    -0.17   0.06  -0.10     0.08  -0.04   0.03
    44   1    -0.01  -0.00  -0.15    -0.00  -0.01  -0.15    -0.04   0.05   0.03
    45   1    -0.03  -0.06  -0.11    -0.08   0.02  -0.19     0.02   0.03   0.06
    46   1    -0.03  -0.08  -0.17    -0.09   0.03  -0.11     0.01   0.01   0.01
    47   1    -0.01  -0.01  -0.17     0.01   0.00   0.13    -0.08  -0.02  -0.15
    48   1    -0.02  -0.03  -0.20    -0.03   0.01   0.04    -0.06  -0.00  -0.10
    49   1    -0.03  -0.08  -0.15    -0.09   0.04   0.10    -0.01  -0.05  -0.13
    50   1     0.06   0.13  -0.10     0.18  -0.07  -0.02     0.07  -0.06   0.04
    51   1     0.04   0.10  -0.02     0.14  -0.06   0.01     0.07  -0.06   0.04
    52   1     0.05   0.12  -0.04     0.17  -0.06  -0.10     0.08  -0.04  -0.03
    53   1     0.03   0.08  -0.17     0.09  -0.03  -0.11     0.01   0.01  -0.01
    54   1     0.03   0.06  -0.11     0.08  -0.02  -0.19     0.02   0.03  -0.06
    55   1     0.01   0.00  -0.15     0.00   0.01  -0.15    -0.04   0.05  -0.03
    56   1    -0.02  -0.07  -0.09    -0.09   0.05  -0.15    -0.07   0.09  -0.05
    57   1    -0.03  -0.10  -0.03    -0.13   0.06  -0.08    -0.09   0.09  -0.01
    58   1    -0.03  -0.09  -0.11    -0.12   0.06   0.04    -0.11   0.07   0.08
    59   1    -0.02  -0.06  -0.16    -0.09   0.04  -0.04    -0.10   0.07   0.05
    60   1     0.01   0.01   0.00     0.02   0.01  -0.14     0.01   0.03  -0.06
    61   1     0.02   0.03  -0.20     0.03  -0.01   0.04    -0.06  -0.00   0.10
    62   1     0.01   0.01  -0.17    -0.01  -0.00   0.13    -0.08  -0.02   0.15
    63   1     0.03   0.08  -0.15     0.09  -0.04   0.10    -0.01  -0.05   0.13
                      4                      5                      6
                      A                      A                      A
 Frequencies --     33.5900                40.2188                45.9201
 Red. masses --     13.4858                 6.6848                 5.0011
 Frc consts  --      0.0090                 0.0064                 0.0062
 IR Inten    --      0.2241                 0.6083                 0.1682
 RamAct Fr= 1--      0.0231                 0.0836                 0.0729
  Dep-P Fr= 1--      0.7141                 0.7500                 0.7500
  Dep-U Fr= 1--      0.8332                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0000
 Beta2  Fr= 1--      0.0032                 0.0119                 0.0104
 AlphaG Fr= 1--     -0.0003                 0.0000                 0.0000
 Gamma2 Fr= 1--     -0.1807                 0.3122                -0.1384
 Delta2 Fr= 1--     -0.0064                -0.0058                -0.0717
 Raman1 Fr= 1--       0.093                  0.334                  0.292
 ROA1   Fr= 1--     -17.549                 29.786                -15.580
 CID1   Fr= 1--    -189.569                 89.108                -53.411
 Raman2 Fr= 1--       0.039                  0.143                  0.125
 ROA2   Fr= 1--      -4.284                  7.539                 -2.748
 CID2   Fr= 1--    -111.092                 52.627                -21.985
 Raman3 Fr= 1--       0.077                  0.287                  0.250
 ROA3   Fr= 1--     -17.549                 29.786                -15.580
 CID3   Fr= 1--    -227.513                103.962                -62.313
 RC180  Fr= 1--       0.666                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04  -0.01   0.06     0.08  -0.10   0.05     0.04  -0.05   0.07
     2   6    -0.00  -0.02   0.05     0.00  -0.06   0.05    -0.00   0.01   0.08
     3   6    -0.00  -0.01  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.03
     4   6    -0.00  -0.01  -0.03     0.04   0.02  -0.04    -0.02  -0.01  -0.03
     5   6    -0.00  -0.01   0.02     0.08  -0.02  -0.02    -0.03   0.01  -0.05
     6   6     0.05  -0.01   0.05     0.13  -0.07   0.00     0.02  -0.06  -0.02
     7   6    -0.03  -0.02   0.06     0.01  -0.05   0.03    -0.05   0.05   0.04
     8   8    -0.00  -0.00  -0.07     0.05   0.07  -0.07    -0.02  -0.03  -0.07
     9  29    -0.00  -0.00  -0.08     0.01   0.09  -0.00    -0.00  -0.05   0.00
    10   8     0.00  -0.01  -0.06    -0.03   0.07  -0.05     0.02  -0.04  -0.03
    11   6    -0.00  -0.01  -0.01    -0.03   0.03  -0.02     0.02  -0.02  -0.00
    12   6     0.02  -0.00   0.00    -0.08   0.00  -0.02     0.05   0.00  -0.05
    13   9     0.29   0.14  -0.11     0.00   0.02  -0.06     0.10  -0.01  -0.09
    14   6    -0.02  -0.01   0.02     0.11   0.00  -0.06    -0.07   0.03  -0.13
    15   6    -0.03  -0.03   0.11     0.03  -0.10   0.08    -0.07   0.08   0.06
    16   6    -0.09  -0.02   0.04    -0.06  -0.01   0.02    -0.11   0.12   0.04
    17   8     0.00  -0.00  -0.07     0.05   0.07   0.07    -0.02  -0.03   0.07
    18   6     0.00   0.01  -0.03     0.04   0.02   0.04    -0.02  -0.01   0.03
    19   6     0.00   0.01   0.02     0.08  -0.02   0.02    -0.03   0.01   0.05
    20   6     0.03   0.02   0.06     0.01  -0.05  -0.03    -0.05   0.05  -0.04
    21   6     0.00   0.02   0.05     0.00  -0.06  -0.05    -0.00   0.01  -0.08
    22   6     0.00   0.01  -0.00    -0.00   0.00   0.00     0.00  -0.01  -0.03
    23   6    -0.05   0.01   0.06     0.08  -0.10  -0.05     0.04  -0.05  -0.07
    24   6    -0.05   0.01   0.04     0.13  -0.07  -0.00     0.02  -0.06   0.02
    25   6     0.09   0.02   0.04    -0.06  -0.01  -0.02    -0.11   0.12  -0.04
    26   6     0.03   0.03   0.11     0.03  -0.10  -0.08    -0.07   0.08  -0.06
    27   6     0.02   0.01   0.02     0.11   0.00   0.06    -0.07   0.03   0.13
    28   6     0.00   0.01  -0.01    -0.03   0.03   0.02     0.02  -0.02   0.00
    29   6    -0.01   0.00  -0.00    -0.08   0.00   0.02     0.05   0.00   0.05
    30   9    -0.28  -0.14  -0.11    -0.00   0.02   0.06     0.10  -0.01   0.09
    31   8     0.00   0.00  -0.06    -0.03   0.07   0.05     0.02  -0.04   0.03
    32   9     0.21   0.06  -0.21    -0.15  -0.05   0.09     0.01   0.06   0.09
    33   9     0.01   0.07   0.30    -0.12   0.02  -0.08     0.07  -0.02   0.05
    34   9    -0.01  -0.07   0.30    -0.12   0.02   0.08     0.07  -0.02  -0.05
    35   9    -0.21  -0.06  -0.21    -0.16  -0.05  -0.09     0.01   0.06  -0.09
    36   1    -0.06   0.01   0.08     0.16  -0.10  -0.02     0.01  -0.05   0.04
    37   1    -0.08  -0.00   0.02     0.17  -0.05   0.03     0.04  -0.10   0.06
    38   1    -0.05   0.02   0.10     0.09  -0.14  -0.09     0.05  -0.04  -0.11
    39   1    -0.07   0.01   0.04     0.09  -0.09  -0.04     0.09  -0.10  -0.07
    40   1     0.02   0.02   0.06    -0.04  -0.08  -0.08    -0.00   0.02  -0.14
    41   1     0.09   0.01   0.00    -0.07   0.03   0.01    -0.10   0.10  -0.02
    42   1     0.10   0.03   0.04    -0.05   0.00  -0.01    -0.15   0.15   0.01
    43   1     0.11   0.03   0.06    -0.10  -0.03  -0.06    -0.11   0.15  -0.10
    44   1    -0.01   0.03   0.13     0.08  -0.13  -0.09    -0.03   0.04  -0.06
    45   1     0.05   0.03   0.14    -0.01  -0.13  -0.12    -0.07   0.11  -0.12
    46   1     0.06   0.03   0.11     0.04  -0.09  -0.07    -0.10   0.11  -0.03
    47   1    -0.01   0.01  -0.01     0.16   0.03   0.10    -0.05  -0.01   0.18
    48   1     0.01   0.02   0.05     0.14  -0.04   0.03    -0.08   0.05   0.13
    49   1     0.05   0.02  -0.00     0.07   0.04   0.07    -0.11   0.08   0.14
    50   1    -0.10  -0.03   0.04    -0.05   0.00   0.01    -0.15   0.15  -0.01
    51   1    -0.09  -0.01   0.00    -0.07   0.03  -0.01    -0.10   0.10   0.02
    52   1    -0.11  -0.03   0.06    -0.10  -0.03   0.06    -0.11   0.15   0.10
    53   1    -0.06  -0.03   0.11     0.04  -0.09   0.07    -0.10   0.11   0.03
    54   1    -0.05  -0.03   0.14    -0.01  -0.13   0.12    -0.07   0.11   0.12
    55   1     0.00  -0.03   0.13     0.08  -0.13   0.09    -0.03   0.04   0.06
    56   1     0.05  -0.02   0.10     0.09  -0.14   0.09     0.05  -0.04   0.11
    57   1     0.07  -0.00   0.04     0.09  -0.10   0.04     0.09  -0.10   0.07
    58   1     0.08   0.00   0.02     0.17  -0.05  -0.03     0.04  -0.10  -0.06
    59   1     0.06  -0.01   0.08     0.16  -0.10   0.02     0.01  -0.05  -0.04
    60   1    -0.02  -0.02   0.06    -0.04  -0.08   0.08    -0.00   0.02   0.14
    61   1    -0.02  -0.02   0.05     0.14  -0.04  -0.03    -0.08   0.05  -0.13
    62   1     0.01  -0.01  -0.01     0.16   0.03  -0.10    -0.05  -0.01  -0.18
    63   1    -0.06  -0.02   0.00     0.07   0.04  -0.07    -0.11   0.08  -0.14
                      7                      8                      9
                      A                      A                      A
 Frequencies --     51.4995                61.7855                94.3952
 Red. masses --      4.9455                 5.2323                 7.2933
 Frc consts  --      0.0077                 0.0118                 0.0383
 IR Inten    --      0.3302                 0.0877                 0.0150
 RamAct Fr= 1--      0.0044                 0.4845                 1.1310
  Dep-P Fr= 1--      0.7344                 0.7500                 0.3306
  Dep-U Fr= 1--      0.8468                 0.8571                 0.4969
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0106
 Beta2  Fr= 1--      0.0006                 0.0692                 0.0937
 AlphaG Fr= 1--      0.0001                 0.0000                 0.0502
 Gamma2 Fr= 1--      0.0598                 0.3012                -0.3346
 Delta2 Fr= 1--      0.0318                 0.0584                -0.6053
 Raman1 Fr= 1--       0.018                  1.938                  4.524
 ROA1   Fr= 1--       6.759                 30.781                -51.492
 CID1   Fr= 1--     384.480                 15.884                -11.382
 Raman2 Fr= 1--       0.007                  0.831                  1.124
 ROA2   Fr= 1--       1.181                  6.761                 -3.188
 CID2   Fr= 1--     158.695                  8.140                 -2.836
 Raman3 Fr= 1--       0.015                  1.661                  2.248
 ROA3   Fr= 1--       6.759                 30.781                -51.492
 CID3   Fr= 1--     454.014                 18.532                -22.905
 RC180  Fr= 1--       0.694                  0.714                 -0.006
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.11  -0.07    -0.07  -0.09   0.03    -0.01  -0.09   0.02
     2   6    -0.00   0.02  -0.11    -0.00  -0.02   0.08     0.03  -0.05   0.05
     3   6     0.00   0.02  -0.11    -0.00  -0.02   0.15     0.03  -0.03   0.08
     4   6    -0.00   0.01  -0.04     0.00  -0.01   0.12     0.04  -0.03   0.06
     5   6    -0.01   0.00   0.03     0.01  -0.01   0.03     0.06  -0.04   0.04
     6   6    -0.01   0.10   0.03    -0.06  -0.08  -0.00     0.01  -0.08   0.01
     7   6     0.00  -0.04  -0.04     0.05   0.02   0.02     0.08  -0.03   0.01
     8   8    -0.00  -0.00  -0.01     0.01   0.00   0.10     0.03  -0.02   0.02
     9  29     0.00   0.00  -0.05    -0.00   0.02  -0.00    -0.00  -0.00  -0.09
    10   8     0.00   0.00  -0.04    -0.01   0.01   0.08     0.03  -0.02  -0.11
    11   6     0.00   0.01  -0.05    -0.01  -0.00   0.10     0.03  -0.02  -0.01
    12   6     0.01  -0.00   0.05    -0.03  -0.00  -0.00     0.11   0.01   0.01
    13   9    -0.04   0.07   0.10    -0.01  -0.09  -0.05     0.11   0.06   0.03
    14   6    -0.01  -0.04   0.13     0.05   0.02  -0.02     0.11  -0.03   0.03
    15   6    -0.00  -0.04  -0.00     0.06   0.03  -0.09     0.10  -0.05  -0.07
    16   6     0.01  -0.14  -0.06     0.13   0.10   0.06     0.16  -0.01   0.04
    17   8     0.00   0.00  -0.01     0.01   0.00  -0.10    -0.03   0.02   0.02
    18   6     0.00  -0.01  -0.04     0.00  -0.01  -0.12    -0.04   0.03   0.06
    19   6     0.01  -0.00   0.03     0.01  -0.01  -0.03    -0.06   0.04   0.04
    20   6    -0.00   0.04  -0.04     0.05   0.02  -0.02    -0.08   0.03   0.01
    21   6     0.00  -0.02  -0.11    -0.00  -0.02  -0.08    -0.03   0.05   0.05
    22   6    -0.00  -0.02  -0.11    -0.00  -0.02  -0.15    -0.03   0.03   0.08
    23   6     0.02  -0.11  -0.07    -0.07  -0.09  -0.03     0.01   0.09   0.02
    24   6     0.01  -0.10   0.03    -0.06  -0.08   0.00    -0.01   0.08   0.01
    25   6    -0.01   0.14  -0.06     0.13   0.10  -0.06    -0.16   0.01   0.04
    26   6     0.00   0.04  -0.00     0.06   0.03   0.09    -0.10   0.05  -0.07
    27   6     0.01   0.04   0.13     0.05   0.02   0.02    -0.11   0.03   0.03
    28   6    -0.00  -0.01  -0.05    -0.01  -0.00  -0.10    -0.03   0.02  -0.01
    29   6    -0.01   0.00   0.05    -0.03  -0.00   0.00    -0.11  -0.01   0.01
    30   9     0.04  -0.07   0.10    -0.01  -0.09   0.05    -0.11  -0.06   0.03
    31   8    -0.00  -0.00  -0.04    -0.01   0.01  -0.08    -0.03   0.02  -0.11
    32   9    -0.04   0.08   0.08    -0.05   0.06   0.02    -0.13  -0.07   0.03
    33   9    -0.01   0.02   0.09    -0.05   0.03   0.06    -0.18   0.05  -0.01
    34   9     0.01  -0.02   0.09    -0.05   0.03  -0.06     0.18  -0.05  -0.01
    35   9     0.04  -0.08   0.08    -0.05   0.06  -0.02     0.13   0.07   0.03
    36   1     0.01  -0.11   0.08    -0.07  -0.08   0.08    -0.01   0.08  -0.03
    37   1     0.01  -0.16   0.04    -0.10  -0.12  -0.03     0.02   0.08   0.04
    38   1     0.02  -0.12  -0.08    -0.07  -0.09   0.02     0.02   0.10  -0.02
    39   1     0.03  -0.17  -0.10    -0.11  -0.13  -0.08     0.05   0.10   0.05
    40   1    -0.01  -0.01  -0.17     0.00  -0.02  -0.10    -0.03   0.05   0.05
    41   1    -0.01   0.14  -0.08     0.14   0.09  -0.13    -0.16   0.01   0.09
    42   1    -0.02   0.19   0.01     0.16   0.13  -0.01    -0.19  -0.01   0.02
    43   1    -0.01   0.18  -0.12     0.16   0.12  -0.07    -0.18  -0.00   0.02
    44   1     0.00  -0.01   0.01     0.00  -0.02   0.13    -0.05   0.06  -0.10
    45   1    -0.00   0.07  -0.05     0.08   0.04   0.10    -0.11   0.07  -0.12
    46   1    -0.00   0.09   0.05     0.10   0.06   0.13    -0.16   0.05  -0.07
    47   1     0.02  -0.00   0.17     0.01  -0.01   0.00    -0.08   0.02   0.06
    48   1     0.02   0.04   0.17     0.05   0.02   0.10    -0.12   0.04  -0.03
    49   1     0.01   0.12   0.13     0.11   0.07  -0.01    -0.16   0.00   0.05
    50   1     0.02  -0.19   0.01     0.16   0.13   0.01     0.19   0.01   0.02
    51   1     0.01  -0.14  -0.08     0.14   0.09   0.13     0.16  -0.01   0.09
    52   1     0.01  -0.18  -0.12     0.16   0.12   0.07     0.18   0.00   0.02
    53   1     0.00  -0.09   0.05     0.10   0.06  -0.13     0.16  -0.06  -0.07
    54   1     0.00  -0.07  -0.05     0.08   0.04  -0.10     0.11  -0.07  -0.11
    55   1    -0.00   0.01   0.01     0.00  -0.02  -0.13     0.05  -0.06  -0.10
    56   1    -0.02   0.12  -0.08    -0.07  -0.09  -0.02    -0.01  -0.10  -0.02
    57   1    -0.03   0.17  -0.10    -0.11  -0.13   0.08    -0.05  -0.10   0.05
    58   1    -0.01   0.16   0.04    -0.10  -0.12   0.03    -0.02  -0.08   0.04
    59   1    -0.01   0.11   0.08    -0.07  -0.08  -0.08     0.01  -0.08  -0.03
    60   1     0.01   0.01  -0.17     0.00  -0.02   0.10     0.03  -0.05   0.05
    61   1    -0.02  -0.04   0.17     0.05   0.02  -0.10     0.12  -0.04  -0.03
    62   1    -0.02   0.00   0.17     0.02  -0.01  -0.00     0.08  -0.02   0.06
    63   1    -0.01  -0.12   0.12     0.11   0.07   0.01     0.16  -0.00   0.05
                     10                     11                     12
                      A                      A                      A
 Frequencies --     99.8562               112.6740               116.2184
 Red. masses --      5.9577                10.1621                 6.5481
 Frc consts  --      0.0350                 0.0760                 0.0521
 IR Inten    --      0.0130                 0.4153                 0.0022
 RamAct Fr= 1--      0.5441                 2.9190                 2.5665
  Dep-P Fr= 1--      0.3475                 0.7500                 0.6057
  Dep-U Fr= 1--      0.5158                 0.8571                 0.7545
 Alpha2 Fr= 1--      0.0048                 0.0000                 0.0068
 Beta2  Fr= 1--      0.0468                 0.4170                 0.3227
 AlphaG Fr= 1--     -0.0431                 0.0000                 0.0250
 Gamma2 Fr= 1--     -1.8291                 3.6087                 1.6698
 Delta2 Fr= 1--     -0.1762                 1.5351                -0.0425
 Raman1 Fr= 1--       2.176                 11.676                 10.266
 ROA1   Fr= 1--    -181.227                395.563                158.946
 CID1   Fr= 1--     -83.268                 33.878                 15.483
 Raman2 Fr= 1--       0.561                  5.004                  3.873
 ROA2   Fr= 1--     -42.488                 74.329                 40.416
 CID2   Fr= 1--     -75.694                 14.854                 10.436
 Raman3 Fr= 1--       1.123                 10.008                  7.745
 ROA3   Fr= 1--    -181.227                395.563                158.946
 CID3   Fr= 1--    -161.430                 39.525                 20.522
 RC180  Fr= 1--       0.032                  0.714                  0.509
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.12  -0.00  -0.02     0.06   0.10  -0.03    -0.07  -0.02  -0.02
     2   6     0.03  -0.02  -0.06     0.04   0.04  -0.06    -0.04  -0.03  -0.02
     3   6     0.03   0.02  -0.10     0.04   0.01  -0.05    -0.04  -0.08  -0.01
     4   6     0.04   0.02  -0.08     0.02   0.01  -0.07    -0.06  -0.09  -0.01
     5   6     0.06  -0.00  -0.06     0.00   0.02  -0.02    -0.10  -0.06  -0.01
     6   6     0.14   0.01  -0.03     0.06   0.09   0.01    -0.11  -0.04  -0.02
     7   6     0.00  -0.04  -0.02    -0.01   0.02  -0.01    -0.08  -0.03  -0.01
     8   8     0.04   0.01  -0.04     0.02   0.00  -0.13    -0.05  -0.08  -0.00
     9  29     0.00   0.00   0.11     0.03  -0.01   0.00    -0.00   0.00   0.04
    10   8     0.02  -0.01   0.15     0.03  -0.03   0.40    -0.01  -0.11   0.04
    11   6     0.02   0.01   0.02     0.04  -0.02   0.15    -0.02  -0.10   0.01
    12   6     0.06   0.03  -0.00    -0.02  -0.03   0.02     0.06  -0.07  -0.00
    13   9     0.07   0.03  -0.01     0.01  -0.19  -0.05     0.08  -0.05  -0.00
    14   6     0.09   0.00  -0.06    -0.06  -0.01   0.02    -0.18  -0.08  -0.02
    15   6     0.02  -0.09   0.08    -0.02   0.04   0.06    -0.10   0.02  -0.00
    16   6    -0.09  -0.07  -0.05    -0.05  -0.04  -0.04    -0.08  -0.05  -0.02
    17   8    -0.04  -0.01  -0.04     0.02   0.00   0.13     0.05   0.08  -0.00
    18   6    -0.04  -0.02  -0.08     0.03   0.01   0.07     0.05   0.09  -0.01
    19   6    -0.06   0.00  -0.06     0.01   0.02   0.02     0.10   0.06  -0.01
    20   6    -0.00   0.04  -0.02    -0.01   0.02   0.01     0.08   0.03  -0.01
    21   6    -0.03   0.02  -0.06     0.04   0.04   0.06     0.04   0.03  -0.02
    22   6    -0.03  -0.02  -0.10     0.04   0.01   0.05     0.04   0.08  -0.01
    23   6    -0.12   0.00  -0.02     0.06   0.10   0.03     0.07   0.02  -0.02
    24   6    -0.14  -0.01  -0.03     0.06   0.09  -0.01     0.11   0.04  -0.02
    25   6     0.09   0.07  -0.05    -0.05  -0.04   0.04     0.08   0.05  -0.02
    26   6    -0.02   0.09   0.08    -0.02   0.04  -0.06     0.10  -0.03  -0.00
    27   6    -0.09  -0.00  -0.06    -0.05  -0.00  -0.02     0.18   0.08  -0.01
    28   6    -0.02  -0.01   0.02     0.04  -0.02  -0.15     0.01   0.10   0.01
    29   6    -0.06  -0.03  -0.00    -0.02  -0.03  -0.02    -0.06   0.07  -0.00
    30   9    -0.07  -0.03  -0.00     0.01  -0.19   0.05    -0.08   0.06  -0.01
    31   8    -0.02   0.01   0.15     0.03  -0.03  -0.39     0.01   0.11   0.04
    32   9    -0.06  -0.08   0.00    -0.07   0.02   0.02    -0.06   0.00   0.01
    33   9    -0.09  -0.00  -0.02    -0.09   0.05   0.03    -0.12   0.13  -0.02
    34   9     0.09   0.00  -0.02    -0.09   0.04  -0.03     0.13  -0.13  -0.03
    35   9     0.06   0.08   0.00    -0.07   0.02  -0.02     0.07   0.01   0.01
    36   1    -0.16   0.01   0.03     0.06   0.09  -0.07     0.14   0.02  -0.03
    37   1    -0.18  -0.04  -0.07     0.09   0.13   0.01     0.12   0.07  -0.01
    38   1    -0.12   0.03   0.04     0.06   0.10   0.00     0.07  -0.01  -0.02
    39   1    -0.15  -0.02  -0.05     0.08   0.13   0.05     0.05   0.03  -0.01
    40   1     0.00   0.03  -0.04     0.06   0.05   0.08     0.01   0.01  -0.02
    41   1     0.11   0.03  -0.12    -0.06  -0.01   0.08     0.06   0.09  -0.03
    42   1     0.08   0.09  -0.03    -0.04  -0.07  -0.00     0.11   0.06  -0.01
    43   1     0.14   0.11  -0.04    -0.08  -0.07   0.06     0.06   0.03  -0.02
    44   1    -0.08   0.08   0.11     0.03   0.03  -0.08     0.11  -0.03  -0.00
    45   1     0.03   0.13   0.10    -0.03   0.05  -0.11     0.08  -0.07   0.02
    46   1    -0.01   0.11   0.11    -0.07   0.05  -0.05     0.15  -0.04  -0.02
    47   1    -0.16  -0.05  -0.10    -0.04   0.00  -0.01     0.22   0.13  -0.02
    48   1    -0.12   0.04   0.00    -0.07   0.02  -0.09     0.23   0.02  -0.01
    49   1    -0.02  -0.01  -0.09    -0.09  -0.06  -0.00     0.18   0.11  -0.02
    50   1    -0.08  -0.09  -0.03    -0.04  -0.07   0.00    -0.11  -0.06  -0.01
    51   1    -0.11  -0.03  -0.12    -0.06  -0.01  -0.08    -0.07  -0.08  -0.03
    52   1    -0.14  -0.11  -0.04    -0.08  -0.07  -0.06    -0.06  -0.04  -0.02
    53   1     0.00  -0.11   0.11    -0.08   0.05   0.05    -0.15   0.04  -0.02
    54   1    -0.03  -0.13   0.10    -0.03   0.06   0.11    -0.08   0.06   0.02
    55   1     0.08  -0.08   0.11     0.03   0.03   0.08    -0.11   0.02  -0.01
    56   1     0.12  -0.02   0.04     0.06   0.10  -0.01    -0.07   0.01  -0.02
    57   1     0.15   0.02  -0.05     0.07   0.13  -0.05    -0.06  -0.04  -0.01
    58   1     0.18   0.04  -0.07     0.08   0.13  -0.01    -0.13  -0.07  -0.01
    59   1     0.16  -0.01   0.03     0.06   0.09   0.07    -0.14  -0.02  -0.03
    60   1    -0.00  -0.03  -0.04     0.06   0.05  -0.08    -0.02  -0.02  -0.02
    61   1     0.12  -0.04   0.00    -0.07   0.02   0.09    -0.22  -0.02  -0.01
    62   1     0.16   0.05  -0.10    -0.04  -0.00   0.01    -0.21  -0.13  -0.02
    63   1     0.02   0.01  -0.09    -0.10  -0.06   0.00    -0.18  -0.11  -0.02
                     13                     14                     15
                      A                      A                      A
 Frequencies --    116.9284               133.5955               141.3717
 Red. masses --      6.5524                 8.1077                 4.9082
 Frc consts  --      0.0528                 0.0853                 0.0578
 IR Inten    --      1.1688                 0.0025                 0.0632
 RamAct Fr= 1--      0.6664                 0.7787                 2.0129
  Dep-P Fr= 1--      0.7497                 0.1673                 0.1289
  Dep-U Fr= 1--      0.8569                 0.2866                 0.2284
 Alpha2 Fr= 1--      0.0000                 0.0115                 0.0328
 Beta2  Fr= 1--      0.0952                 0.0372                 0.0766
 AlphaG Fr= 1--      0.0000                -0.0712                 0.1247
 Gamma2 Fr= 1--      0.1500                -1.6001                 0.1967
 Delta2 Fr= 1--      0.1694                -0.8100                -0.4757
 Raman1 Fr= 1--       2.666                  3.115                  8.052
 ROA1   Fr= 1--      19.816               -179.533                  3.659
 CID1   Fr= 1--       7.434                -57.642                  0.454
 Raman2 Fr= 1--       1.142                  0.446                  0.919
 ROA2   Fr= 1--       2.244                -31.923                  8.526
 CID2   Fr= 1--       1.965                -71.527                  9.274
 Raman3 Fr= 1--       2.284                  0.893                  1.839
 ROA3   Fr= 1--      19.816               -179.533                  3.659
 CID3   Fr= 1--       8.675               -201.135                  1.990
 RC180  Fr= 1--       0.714                 -0.427                 -0.543
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05  -0.07  -0.02    -0.07  -0.07  -0.01    -0.13  -0.03  -0.02
     2   6    -0.07  -0.05  -0.02    -0.10  -0.03  -0.00    -0.08  -0.01   0.00
     3   6    -0.07   0.01  -0.00    -0.09   0.03  -0.02    -0.08   0.02   0.05
     4   6    -0.03   0.03  -0.01    -0.06   0.04   0.04    -0.05   0.04  -0.01
     5   6     0.02  -0.02  -0.01    -0.03   0.00  -0.03    -0.02   0.01   0.02
     6   6     0.02  -0.04  -0.01    -0.05  -0.06  -0.04    -0.04   0.01   0.01
     7   6    -0.03  -0.07  -0.01    -0.07  -0.03  -0.01    -0.04  -0.02  -0.01
     8   8    -0.03   0.05  -0.04    -0.05   0.04   0.21    -0.04   0.06  -0.12
     9  29    -0.03   0.02  -0.00    -0.00  -0.00   0.09    -0.00   0.00  -0.07
    10   8    -0.06  -0.03   0.13    -0.07   0.01  -0.20    -0.06  -0.02   0.11
    11   6    -0.06   0.01   0.06    -0.08   0.03  -0.10    -0.07   0.01   0.08
    12   6     0.04   0.06   0.02    -0.03   0.06  -0.03    -0.03   0.05   0.03
    13   9     0.06   0.08   0.01    -0.06   0.18   0.03    -0.00   0.02   0.01
    14   6     0.10  -0.00  -0.01     0.05   0.04  -0.08     0.02   0.01   0.05
    15   6     0.01  -0.17  -0.01    -0.05  -0.10   0.01    -0.00  -0.11  -0.03
    16   6    -0.05  -0.07  -0.02    -0.13   0.01  -0.02    -0.04   0.00   0.00
    17   8    -0.03   0.05   0.04     0.05  -0.04   0.21     0.04  -0.06  -0.12
    18   6    -0.03   0.02   0.01     0.06  -0.04   0.05     0.04  -0.04  -0.01
    19   6     0.01  -0.02   0.01     0.03  -0.00  -0.03     0.02  -0.01   0.01
    20   6    -0.03  -0.07   0.02     0.07   0.03  -0.01     0.04   0.02  -0.01
    21   6    -0.07  -0.05   0.02     0.10   0.03  -0.00     0.08   0.01   0.00
    22   6    -0.07   0.01   0.00     0.09  -0.03  -0.02     0.08  -0.02   0.05
    23   6    -0.06  -0.07   0.02     0.07   0.07  -0.01     0.13   0.03  -0.02
    24   6     0.01  -0.04   0.01     0.05   0.06  -0.04     0.04  -0.01   0.01
    25   6    -0.06  -0.07   0.02     0.13  -0.01  -0.02     0.04  -0.00   0.00
    26   6     0.01  -0.17   0.01     0.05   0.10   0.01     0.00   0.11  -0.03
    27   6     0.09  -0.00   0.01    -0.05  -0.04  -0.08    -0.02  -0.01   0.05
    28   6    -0.06   0.00  -0.06     0.08  -0.03  -0.11     0.07  -0.01   0.08
    29   6     0.04   0.06  -0.02     0.03  -0.06  -0.03     0.03  -0.05   0.03
    30   9     0.07   0.08  -0.01     0.06  -0.18   0.03     0.00  -0.02   0.01
    31   8    -0.06  -0.04  -0.13     0.07  -0.01  -0.20     0.06   0.02   0.11
    32   9     0.05   0.20  -0.03    -0.00  -0.03   0.00     0.04  -0.14   0.02
    33   9     0.14  -0.01   0.03    -0.03  -0.00   0.01    -0.01  -0.03  -0.01
    34   9     0.13  -0.01  -0.03     0.03   0.00   0.01     0.01   0.03  -0.01
    35   9     0.04   0.20   0.03     0.00   0.03   0.00    -0.04   0.14   0.02
    36   1     0.06  -0.08   0.00     0.04   0.07  -0.08    -0.02   0.04   0.03
    37   1     0.03   0.00   0.01     0.06   0.08  -0.03     0.03  -0.09   0.02
    38   1    -0.06  -0.13   0.04     0.06   0.08   0.00     0.14   0.09  -0.10
    39   1    -0.10  -0.06   0.01     0.06   0.08   0.00     0.22   0.01   0.01
    40   1    -0.10  -0.07   0.02     0.13   0.04   0.02     0.09   0.02  -0.02
    41   1    -0.10   0.03   0.02     0.14  -0.03  -0.04     0.11  -0.19   0.03
    42   1     0.04  -0.09  -0.00     0.13  -0.02  -0.03    -0.15   0.03   0.03
    43   1    -0.13  -0.15   0.05     0.16   0.01   0.02     0.16   0.14  -0.06
    44   1     0.04  -0.20   0.01     0.04   0.08   0.02    -0.05   0.26  -0.06
    45   1    -0.05  -0.22   0.00     0.08   0.15  -0.02     0.07   0.12   0.08
    46   1     0.07  -0.17   0.01     0.00   0.12   0.04    -0.05   0.03  -0.13
    47   1     0.12   0.05   0.00    -0.09  -0.07  -0.10    -0.01  -0.03   0.08
    48   1     0.13  -0.06   0.01    -0.10   0.01  -0.11    -0.03   0.01   0.04
    49   1     0.09   0.02   0.01    -0.05  -0.12  -0.08    -0.05   0.01   0.06
    50   1     0.04  -0.09   0.00    -0.13   0.02  -0.03     0.15  -0.03   0.03
    51   1    -0.10   0.04  -0.02    -0.14   0.03  -0.04    -0.11   0.19   0.03
    52   1    -0.13  -0.15  -0.05    -0.16  -0.01   0.02    -0.16  -0.14  -0.06
    53   1     0.08  -0.17  -0.01    -0.00  -0.12   0.04     0.05  -0.03  -0.13
    54   1    -0.05  -0.22  -0.00    -0.08  -0.15  -0.02    -0.07  -0.12   0.07
    55   1     0.04  -0.20  -0.01    -0.04  -0.08   0.02     0.05  -0.26  -0.06
    56   1    -0.05  -0.13  -0.04    -0.06  -0.08   0.00    -0.14  -0.09  -0.10
    57   1    -0.10  -0.06  -0.01    -0.06  -0.08   0.00    -0.22  -0.01   0.01
    58   1     0.03   0.01  -0.01    -0.06  -0.08  -0.03    -0.03   0.08   0.02
    59   1     0.06  -0.08  -0.00    -0.04  -0.07  -0.08     0.02  -0.04   0.03
    60   1    -0.10  -0.07  -0.02    -0.13  -0.04   0.02    -0.09  -0.02  -0.02
    61   1     0.14  -0.06  -0.01     0.10  -0.01  -0.11     0.03  -0.01   0.04
    62   1     0.13   0.05  -0.00     0.09   0.07  -0.10     0.01   0.03   0.08
    63   1     0.10   0.02  -0.01     0.05   0.12  -0.08     0.05  -0.01   0.06
                     16                     17                     18
                      A                      A                      A
 Frequencies --    161.8765               169.1022               172.5382
 Red. masses --      1.7760                 1.1822                 2.0303
 Frc consts  --      0.0274                 0.0199                 0.0356
 IR Inten    --      0.2515                 0.1299                 0.1993
 RamAct Fr= 1--      0.6246                 0.3238                 0.5638
  Dep-P Fr= 1--      0.7499                 0.0335                 0.7500
  Dep-U Fr= 1--      0.8571                 0.0648                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0067                 0.0000
 Beta2  Fr= 1--      0.0892                 0.0035                 0.0805
 AlphaG Fr= 1--      0.0000                -0.0034                -0.0000
 Gamma2 Fr= 1--      0.4912                 0.1813                 1.3444
 Delta2 Fr= 1--     -0.2331                 0.1486                 0.0706
 Raman1 Fr= 1--       2.498                  1.295                  2.255
 ROA1   Fr= 1--      39.700                 22.154                131.325
 CID1   Fr= 1--      15.892                 17.103                 58.229
 Raman2 Fr= 1--       1.071                  0.042                  0.967
 ROA2   Fr= 1--      13.655                  3.162                 31.702
 CID2   Fr= 1--      12.754                 75.318                 32.799
 Raman3 Fr= 1--       2.141                  0.084                  1.933
 ROA3   Fr= 1--      39.700                 22.154                131.325
 CID3   Fr= 1--      18.542                263.883                 67.934
 RC180  Fr= 1--       0.714                 -0.870                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.00   0.01    -0.01   0.00  -0.01    -0.00   0.01  -0.03
     2   6     0.01   0.00  -0.02     0.01   0.00  -0.00     0.00   0.01  -0.02
     3   6     0.00   0.01  -0.03     0.01  -0.00   0.00     0.00   0.01  -0.02
     4   6    -0.00   0.00   0.02     0.01  -0.01  -0.00     0.00   0.00   0.03
     5   6    -0.00  -0.00  -0.02     0.01   0.00  -0.00     0.01   0.01  -0.02
     6   6    -0.01  -0.02  -0.02     0.03   0.02   0.01     0.01   0.01  -0.02
     7   6    -0.01  -0.01  -0.00     0.01   0.01  -0.00    -0.01   0.00  -0.01
     8   8    -0.01  -0.01   0.11     0.01  -0.01   0.02    -0.00  -0.01   0.15
     9  29    -0.00  -0.00   0.00    -0.00   0.00   0.02     0.01  -0.01   0.00
    10   8     0.00   0.00   0.04     0.01   0.00  -0.03     0.01  -0.00   0.01
    11   6     0.00   0.01  -0.00     0.01  -0.00  -0.01     0.01   0.00  -0.00
    12   6    -0.00   0.01  -0.00     0.01  -0.01  -0.01     0.00  -0.00  -0.00
    13   9    -0.00   0.01  -0.00     0.00  -0.01  -0.00    -0.00  -0.01  -0.00
    14   6     0.03   0.02  -0.05    -0.01  -0.01   0.01     0.02   0.02  -0.04
    15   6    -0.02   0.01   0.03     0.01   0.00   0.01    -0.01  -0.01   0.04
    16   6    -0.03  -0.04  -0.02    -0.01   0.03  -0.00    -0.07   0.01  -0.02
    17   8    -0.01  -0.01  -0.11    -0.01   0.01   0.02    -0.00  -0.01  -0.15
    18   6    -0.00   0.00  -0.02    -0.01   0.01  -0.00     0.00   0.00  -0.03
    19   6    -0.00  -0.00   0.01    -0.01  -0.00  -0.00     0.01   0.01   0.02
    20   6    -0.01  -0.01   0.00    -0.01  -0.01  -0.00    -0.01   0.00   0.01
    21   6     0.01   0.00   0.02    -0.01  -0.00  -0.00     0.00   0.01   0.02
    22   6     0.00   0.01   0.03    -0.01   0.00   0.00     0.00   0.01   0.02
    23   6     0.05   0.00  -0.01     0.01  -0.00  -0.01    -0.00   0.01   0.03
    24   6    -0.01  -0.02   0.02    -0.03  -0.02   0.01     0.01   0.01   0.02
    25   6    -0.03  -0.04   0.02     0.01  -0.03  -0.00    -0.07   0.01   0.02
    26   6    -0.02   0.01  -0.03    -0.01  -0.00   0.01    -0.01  -0.01  -0.04
    27   6     0.03   0.02   0.05     0.01   0.01   0.01     0.02   0.02   0.04
    28   6     0.00   0.01   0.00    -0.01   0.00  -0.01     0.01   0.00   0.00
    29   6    -0.00   0.01   0.00    -0.01   0.01  -0.01     0.00  -0.00   0.00
    30   9    -0.00   0.01   0.00    -0.00   0.01  -0.00    -0.00  -0.01   0.00
    31   8     0.00   0.00  -0.04    -0.01  -0.00  -0.03     0.01  -0.00  -0.01
    32   9    -0.00   0.00   0.00    -0.01   0.03  -0.00     0.00  -0.02   0.00
    33   9    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    34   9    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.01   0.01   0.00
    35   9    -0.00   0.00  -0.00     0.01  -0.03  -0.00     0.00  -0.02  -0.00
    36   1    -0.05   0.01   0.06    -0.05   0.01   0.04     0.03  -0.00  -0.00
    37   1    -0.03  -0.09   0.02    -0.05  -0.06  -0.00     0.03   0.03   0.02
    38   1     0.06   0.05  -0.08     0.02   0.03  -0.06    -0.00  -0.01   0.04
    39   1     0.13  -0.01   0.02     0.06  -0.01   0.00    -0.02   0.01   0.02
    40   1    -0.01  -0.00   0.00    -0.02  -0.01  -0.01     0.00   0.01   0.03
    41   1     0.06  -0.24   0.07     0.10  -0.25   0.02    -0.16   0.23   0.03
    42   1    -0.24  -0.01   0.05    -0.21   0.01   0.04     0.13  -0.03  -0.02
    43   1     0.10   0.11  -0.05     0.15   0.14  -0.07    -0.22  -0.16   0.08
    44   1    -0.12   0.28  -0.08    -0.14   0.28  -0.04     0.13  -0.26  -0.00
    45   1     0.04  -0.07   0.23     0.06  -0.10   0.31    -0.08   0.06  -0.31
    46   1     0.01  -0.17  -0.25     0.06  -0.20  -0.23    -0.08   0.15   0.16
    47   1     0.08   0.04   0.09     0.06   0.03   0.04    -0.02  -0.00   0.01
    48   1     0.06  -0.02   0.04     0.03  -0.03  -0.03     0.02   0.03   0.11
    49   1    -0.00   0.07   0.07    -0.03   0.02   0.03     0.08   0.05   0.01
    50   1    -0.24  -0.01  -0.05     0.21  -0.01   0.04     0.14  -0.03   0.02
    51   1     0.05  -0.24  -0.07    -0.10   0.25   0.03    -0.16   0.24  -0.03
    52   1     0.10   0.11   0.05    -0.15  -0.14  -0.07    -0.23  -0.16  -0.08
    53   1     0.01  -0.17   0.24    -0.06   0.19  -0.23    -0.08   0.16  -0.17
    54   1     0.04  -0.07  -0.23    -0.06   0.10   0.30    -0.08   0.07   0.32
    55   1    -0.11   0.27   0.08     0.14  -0.28  -0.04     0.13  -0.26   0.00
    56   1     0.06   0.05   0.08    -0.02  -0.03  -0.06    -0.00  -0.01  -0.05
    57   1     0.13  -0.01  -0.02    -0.06   0.01   0.00    -0.02   0.01  -0.02
    58   1    -0.03  -0.09  -0.02     0.05   0.06  -0.00     0.03   0.03  -0.02
    59   1    -0.05   0.01  -0.06     0.05  -0.01   0.04     0.03  -0.00   0.00
    60   1    -0.01  -0.00  -0.00     0.02   0.01  -0.01     0.00   0.01  -0.03
    61   1     0.06  -0.02  -0.04    -0.03   0.03  -0.03     0.02   0.03  -0.11
    62   1     0.08   0.04  -0.09    -0.06  -0.03   0.04    -0.02  -0.00  -0.01
    63   1    -0.00   0.07  -0.07     0.03  -0.02   0.03     0.08   0.05  -0.01
                     19                     20                     21
                      A                      A                      A
 Frequencies --    189.5753               189.8258               207.0869
 Red. masses --      1.2184                 1.1919                 1.9847
 Frc consts  --      0.0258                 0.0253                 0.0501
 IR Inten    --      0.3501                 0.1268                 0.6486
 RamAct Fr= 1--      0.0858                 0.3275                 0.0883
  Dep-P Fr= 1--      0.5201                 0.1667                 0.7500
  Dep-U Fr= 1--      0.6843                 0.2858                 0.8571
 Alpha2 Fr= 1--      0.0004                 0.0049                 0.0000
 Beta2  Fr= 1--      0.0098                 0.0156                 0.0126
 AlphaG Fr= 1--     -0.0008                -0.0108                 0.0000
 Gamma2 Fr= 1--      0.0037                 0.3826                -0.4142
 Delta2 Fr= 1--     -0.0841                 0.0728                -0.1649
 Raman1 Fr= 1--       0.343                  1.310                  0.353
 ROA1   Fr= 1--      -2.336                 39.058                -45.043
 CID1   Fr= 1--      -6.805                 29.816               -127.573
 Raman2 Fr= 1--       0.117                  0.187                  0.151
 ROA2   Fr= 1--       0.762                  8.600                 -8.623
 CID2   Fr= 1--       6.487                 45.943                -56.986
 Raman3 Fr= 1--       0.235                  0.374                  0.303
 ROA3   Fr= 1--      -2.336                 39.058                -45.043
 CID3   Fr= 1--      -9.944                104.329               -148.836
 RC180  Fr= 1--       0.369                 -0.428                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01   0.00    -0.01   0.01  -0.00     0.02  -0.03  -0.00
     2   6     0.01  -0.01   0.00    -0.01   0.00   0.00     0.02  -0.02  -0.00
     3   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.01  -0.02  -0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.01     0.01  -0.02  -0.00
     5   6    -0.00  -0.01   0.00    -0.00   0.01  -0.00    -0.00  -0.03  -0.01
     6   6    -0.01  -0.02  -0.00     0.02   0.02   0.01     0.01  -0.03  -0.00
     7   6     0.00  -0.01   0.00     0.00   0.01  -0.00     0.01  -0.02  -0.00
     8   8     0.00   0.00  -0.02    -0.00  -0.00   0.00     0.01  -0.01   0.02
     9  29    -0.00   0.01   0.00     0.00  -0.00   0.01    -0.01   0.05   0.00
    10   8    -0.00   0.01   0.00     0.00  -0.01  -0.01    -0.01   0.02   0.01
    11   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.01  -0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00    -0.01   0.01   0.00
    13   9    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00   0.02   0.01
    14   6    -0.00  -0.01  -0.01    -0.02  -0.01   0.02    -0.06  -0.04  -0.02
    15   6    -0.01   0.03   0.01     0.02  -0.04  -0.03    -0.03   0.08   0.00
    16   6     0.01  -0.04  -0.00    -0.00   0.07   0.01     0.05  -0.08  -0.01
    17   8     0.00   0.00   0.02    -0.00   0.00  -0.01     0.01  -0.01  -0.02
    18   6     0.00  -0.00  -0.00    -0.00   0.00  -0.01     0.01  -0.02   0.00
    19   6     0.00  -0.01  -0.00     0.00  -0.00  -0.00    -0.00  -0.03   0.01
    20   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.01  -0.02   0.00
    21   6     0.01  -0.01  -0.00     0.00  -0.00   0.00     0.02  -0.02   0.00
    22   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01  -0.02   0.00
    23   6     0.02  -0.01  -0.01     0.01  -0.00  -0.00     0.02  -0.03   0.00
    24   6    -0.01  -0.03   0.01    -0.01  -0.01   0.01     0.01  -0.03   0.00
    25   6     0.01  -0.07   0.01    -0.00  -0.04   0.01     0.05  -0.08   0.01
    26   6    -0.03   0.05  -0.03    -0.01   0.02  -0.02    -0.03   0.09  -0.01
    27   6     0.01  -0.00   0.02     0.02   0.01   0.01    -0.06  -0.04   0.02
    28   6    -0.00   0.00  -0.00    -0.00   0.01  -0.00    -0.01  -0.00  -0.00
    29   6    -0.00   0.01  -0.00    -0.00   0.01  -0.00    -0.01   0.01  -0.00
    30   9    -0.00   0.01  -0.00    -0.00   0.00  -0.00    -0.00   0.02  -0.01
    31   8    -0.00   0.01  -0.01    -0.00   0.00  -0.01    -0.01   0.02  -0.01
    32   9    -0.00   0.02  -0.00    -0.00   0.01  -0.00    -0.01   0.04  -0.00
    33   9     0.00   0.00  -0.00    -0.01   0.01  -0.00     0.02  -0.02   0.00
    34   9     0.00  -0.00  -0.00     0.00  -0.01  -0.00     0.02  -0.02  -0.00
    35   9    -0.00   0.01   0.00     0.01  -0.02  -0.00    -0.01   0.04   0.00
    36   1    -0.03  -0.01   0.04    -0.02  -0.00   0.03     0.00  -0.03   0.00
    37   1    -0.03  -0.06   0.00    -0.02  -0.03   0.00     0.01  -0.04   0.01
    38   1     0.02   0.01  -0.03     0.01   0.01  -0.01     0.02  -0.02  -0.01
    39   1     0.04  -0.03  -0.00     0.02  -0.01   0.00     0.03  -0.03   0.00
    40   1     0.00  -0.01  -0.01    -0.00  -0.00  -0.00     0.01  -0.02  -0.00
    41   1     0.02  -0.09   0.02    -0.00  -0.03   0.02     0.08  -0.15   0.01
    42   1     0.01  -0.11  -0.04     0.00  -0.06  -0.02     0.01  -0.11  -0.03
    43   1     0.03  -0.09   0.06    -0.01  -0.05   0.03     0.11  -0.06   0.05
    44   1    -0.02   0.06  -0.03    -0.01   0.03  -0.02     0.03  -0.07   0.03
    45   1     0.01   0.09  -0.06    -0.00   0.04  -0.03    -0.01   0.22  -0.22
    46   1    -0.09   0.06  -0.01    -0.04   0.02  -0.02    -0.16   0.22   0.16
    47   1    -0.34  -0.21  -0.24    -0.17  -0.10  -0.13     0.11   0.02   0.17
    48   1    -0.09   0.15   0.46    -0.03   0.09   0.27    -0.04  -0.08  -0.20
    49   1     0.44   0.05  -0.16     0.27   0.04  -0.09    -0.29  -0.07   0.12
    50   1     0.01  -0.06   0.02    -0.01   0.10  -0.04     0.01  -0.11   0.03
    51   1     0.02  -0.06  -0.01    -0.01   0.07   0.02     0.08  -0.15  -0.01
    52   1     0.03  -0.05  -0.03    -0.01   0.09   0.06     0.11  -0.06  -0.05
    53   1    -0.05   0.04  -0.00     0.08  -0.05  -0.02    -0.16   0.22  -0.16
    54   1     0.01   0.06   0.03    -0.00  -0.08  -0.05    -0.01   0.22   0.22
    55   1    -0.01   0.03   0.01     0.02  -0.06  -0.04     0.03  -0.07  -0.03
    56   1     0.01   0.00   0.02    -0.02  -0.01  -0.03     0.02  -0.02   0.01
    57   1     0.03  -0.02   0.00    -0.04   0.02   0.00     0.03  -0.03  -0.00
    58   1    -0.01  -0.03  -0.00     0.03   0.06   0.01     0.01  -0.04  -0.01
    59   1    -0.02  -0.01  -0.02     0.04   0.01   0.04     0.00  -0.03  -0.00
    60   1     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.01  -0.02   0.00
    61   1    -0.06   0.09  -0.25     0.07  -0.15   0.47    -0.04  -0.08   0.21
    62   1    -0.20  -0.12   0.13     0.32   0.19  -0.23     0.11   0.02  -0.17
    63   1     0.24   0.02   0.09    -0.46  -0.06  -0.16    -0.30  -0.07  -0.12
                     22                     23                     24
                      A                      A                      A
 Frequencies --    212.8152               216.9552               223.7127
 Red. masses --      1.9881                 3.7531                 3.7085
 Frc consts  --      0.0531                 0.1041                 0.1094
 IR Inten    --      0.1049                 1.9143                 0.2709
 RamAct Fr= 1--      2.2531                 0.8010                 0.1734
  Dep-P Fr= 1--      0.1295                 0.2830                 0.7496
  Dep-U Fr= 1--      0.2292                 0.4411                 0.8569
 Alpha2 Fr= 1--      0.0367                 0.0086                 0.0000
 Beta2  Fr= 1--      0.0861                 0.0589                 0.0248
 AlphaG Fr= 1--     -0.0241                -0.0250                -0.0000
 Gamma2 Fr= 1--      1.4890                -1.0813                -2.4839
 Delta2 Fr= 1--      1.0049                -0.5788                -0.4521
 Raman1 Fr= 1--       9.013                  3.204                  0.693
 ROA1   Fr= 1--     175.097               -122.323               -252.924
 CID1   Fr= 1--      19.428                -38.180               -364.711
 Raman2 Fr= 1--       1.033                  0.707                  0.297
 ROA2   Fr= 1--      27.696                -21.320                -55.998
 CID2   Fr= 1--      26.813                -30.170               -188.464
 Raman3 Fr= 1--       2.066                  1.413                  0.594
 ROA3   Fr= 1--     175.097               -122.323               -252.924
 CID3   Fr= 1--      84.755                -86.551               -425.616
 RC180  Fr= 1--      -0.542                 -0.118                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.03  -0.00     0.01  -0.02   0.03    -0.02   0.00  -0.01
     2   6    -0.01   0.02   0.00    -0.00  -0.02   0.03    -0.01  -0.01  -0.01
     3   6     0.00   0.01  -0.00    -0.01  -0.01   0.00     0.00  -0.02  -0.01
     4   6    -0.00   0.01   0.00     0.01  -0.01  -0.05     0.02  -0.02   0.00
     5   6     0.00   0.02  -0.00     0.00  -0.02   0.01    -0.01  -0.01  -0.01
     6   6    -0.01   0.04   0.00     0.06   0.00   0.03    -0.00   0.01  -0.00
     7   6    -0.01   0.02  -0.00     0.01  -0.01   0.01    -0.01  -0.01  -0.01
     8   8    -0.01   0.00   0.00     0.01   0.01  -0.15     0.03   0.03   0.06
     9  29     0.00  -0.00   0.01     0.00   0.00   0.09     0.05   0.12  -0.00
    10   8     0.02  -0.01  -0.01    -0.02   0.01  -0.03    -0.00   0.02   0.00
    11   6     0.02  -0.01  -0.00    -0.03   0.01  -0.04    -0.01  -0.03   0.00
    12   6     0.02  -0.03  -0.00    -0.02   0.03  -0.03     0.01  -0.03   0.00
    13   9     0.02  -0.05  -0.01    -0.05   0.11   0.01     0.02  -0.04  -0.00
    14   6     0.01   0.02   0.02    -0.11  -0.06   0.04    -0.18  -0.05  -0.02
    15   6     0.04  -0.10  -0.01     0.03  -0.03  -0.05     0.03  -0.09  -0.01
    16   6    -0.06   0.10   0.00     0.06   0.05   0.03    -0.05   0.06  -0.00
    17   8     0.01  -0.00   0.00    -0.01  -0.01  -0.15     0.03   0.03  -0.06
    18   6     0.00  -0.01   0.00    -0.01   0.01  -0.05     0.02  -0.02  -0.00
    19   6    -0.00  -0.02  -0.00    -0.00   0.02   0.01    -0.01  -0.01   0.01
    20   6     0.01  -0.02  -0.00    -0.01   0.01   0.01    -0.01  -0.01   0.01
    21   6     0.01  -0.02   0.00     0.00   0.02   0.03    -0.01  -0.01   0.01
    22   6    -0.00  -0.01  -0.00     0.01   0.01   0.00     0.00  -0.02   0.01
    23   6     0.02  -0.03  -0.00    -0.01   0.02   0.03    -0.02   0.00   0.01
    24   6     0.01  -0.04   0.00    -0.06  -0.00   0.03    -0.00   0.01   0.00
    25   6     0.06  -0.10   0.00    -0.06  -0.05   0.03    -0.05   0.06   0.00
    26   6    -0.04   0.10  -0.01    -0.03   0.03  -0.05     0.03  -0.09   0.01
    27   6    -0.01  -0.02   0.02     0.11   0.06   0.04    -0.18  -0.05   0.02
    28   6    -0.02   0.01  -0.00     0.03  -0.01  -0.04    -0.01  -0.02  -0.00
    29   6    -0.02   0.03  -0.00     0.03  -0.03  -0.03     0.01  -0.03  -0.00
    30   9    -0.02   0.05  -0.01     0.05  -0.11   0.01     0.02  -0.04   0.00
    31   8    -0.02   0.01  -0.01     0.02  -0.01  -0.03    -0.00   0.02  -0.00
    32   9    -0.02   0.06  -0.00     0.01  -0.01  -0.01     0.01  -0.00  -0.00
    33   9    -0.01   0.02  -0.00    -0.00   0.01  -0.01     0.04  -0.06   0.01
    34   9     0.01  -0.02  -0.00     0.00  -0.01  -0.01     0.04  -0.06  -0.01
    35   9     0.02  -0.06  -0.00    -0.01   0.01  -0.01     0.01  -0.00   0.00
    36   1     0.00  -0.03   0.01    -0.09   0.02   0.08     0.01   0.00  -0.02
    37   1     0.01  -0.04   0.00    -0.10  -0.05  -0.00     0.01   0.03   0.01
    38   1     0.02  -0.03  -0.01    -0.01   0.06   0.02    -0.02  -0.01   0.03
    39   1     0.02  -0.04  -0.00     0.01   0.00   0.03    -0.04   0.01   0.01
    40   1    -0.00  -0.03  -0.01     0.01   0.02   0.03     0.01  -0.00   0.02
    41   1     0.10  -0.19   0.01    -0.12   0.10   0.06    -0.03   0.02   0.02
    42   1    -0.00  -0.13  -0.04     0.08  -0.12  -0.05    -0.11   0.10   0.06
    43   1     0.13  -0.06   0.06    -0.17  -0.20   0.11    -0.04   0.11  -0.08
    44   1     0.02  -0.06   0.02    -0.02   0.06  -0.06     0.00  -0.02  -0.00
    45   1    -0.01   0.24  -0.23    -0.02   0.04  -0.05    -0.00  -0.18   0.13
    46   1    -0.18   0.24   0.16    -0.07   0.02  -0.06     0.12  -0.17  -0.08
    47   1     0.14   0.05   0.15     0.28   0.18   0.15    -0.32  -0.21  -0.02
    48   1     0.02  -0.08  -0.17     0.21  -0.08  -0.07    -0.29   0.11   0.09
    49   1    -0.21  -0.02   0.10    -0.04   0.13   0.10    -0.11  -0.10  -0.01
    50   1     0.00   0.13  -0.04    -0.08   0.12  -0.05    -0.11   0.10  -0.06
    51   1    -0.10   0.19   0.01     0.12  -0.10   0.06    -0.03   0.02  -0.02
    52   1    -0.13   0.07   0.06     0.17   0.20   0.11    -0.04   0.11   0.08
    53   1     0.18  -0.24   0.16     0.07  -0.02  -0.06     0.12  -0.17   0.08
    54   1     0.01  -0.24  -0.23     0.02  -0.04  -0.06    -0.00  -0.18  -0.13
    55   1    -0.02   0.06   0.02     0.02  -0.06  -0.06     0.00  -0.02   0.00
    56   1    -0.02   0.03  -0.01     0.01  -0.06   0.02    -0.02  -0.01  -0.03
    57   1    -0.02   0.04  -0.00    -0.01  -0.00   0.03    -0.04   0.01  -0.01
    58   1    -0.01   0.05   0.00     0.10   0.05  -0.00     0.01   0.03  -0.01
    59   1    -0.00   0.03   0.01     0.09  -0.02   0.08     0.01   0.00   0.02
    60   1     0.00   0.03  -0.01    -0.01  -0.02   0.03     0.01  -0.00  -0.02
    61   1    -0.02   0.08  -0.17    -0.21   0.09  -0.07    -0.29   0.11  -0.09
    62   1    -0.14  -0.05   0.15    -0.28  -0.18   0.15    -0.32  -0.21   0.02
    63   1     0.21   0.02   0.10     0.04  -0.13   0.10    -0.11  -0.10   0.01
                     25                     26                     27
                      A                      A                      A
 Frequencies --    228.1403               228.6376               232.9474
 Red. masses --      1.1402                 1.2269                 4.4071
 Frc consts  --      0.0350                 0.0378                 0.1409
 IR Inten    --      0.0550                 0.1437                 3.4858
 RamAct Fr= 1--      0.1809                 0.4428                 0.1008
  Dep-P Fr= 1--      0.7497                 0.6936                 0.7500
  Dep-U Fr= 1--      0.8569                 0.8191                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0004                 0.0000
 Beta2  Fr= 1--      0.0258                 0.0605                 0.0144
 AlphaG Fr= 1--      0.0000                 0.0089                 0.0000
 Gamma2 Fr= 1--      0.0262                 0.5868                 0.1183
 Delta2 Fr= 1--     -0.0665                 0.3018                -0.2791
 Raman1 Fr= 1--       0.724                  1.771                  0.403
 ROA1   Fr= 1--       0.387                 65.986                  2.422
 CID1   Fr= 1--       0.535                 37.252                  6.009
 Raman2 Fr= 1--       0.310                  0.725                  0.173
 ROA2   Fr= 1--       1.161                 11.668                  5.072
 CID2   Fr= 1--       3.746                 16.084                 29.363
 Raman3 Fr= 1--       0.620                  1.451                  0.345
 ROA3   Fr= 1--       0.387                 65.986                  2.422
 CID3   Fr= 1--       0.624                 45.481                  7.011
 RC180  Fr= 1--       0.714                  0.638                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.00   0.02     0.03  -0.00   0.02    -0.10  -0.01  -0.02
     2   6     0.01   0.01   0.01     0.01   0.00   0.01    -0.03   0.01   0.00
     3   6     0.01   0.00   0.01     0.01  -0.00   0.01    -0.03   0.00   0.04
     4   6     0.00  -0.00   0.00     0.00  -0.01  -0.00    -0.02   0.03   0.02
     5   6    -0.01   0.00  -0.00    -0.01  -0.00  -0.00    -0.02   0.01   0.01
     6   6    -0.01  -0.01  -0.01    -0.01  -0.02  -0.01    -0.12  -0.02  -0.03
     7   6    -0.00   0.01   0.00     0.00   0.01   0.01    -0.04   0.00   0.00
     8   8    -0.00  -0.00  -0.00     0.00  -0.01  -0.01     0.00   0.09  -0.04
     9  29    -0.00   0.00  -0.00    -0.00  -0.00   0.01     0.08   0.08  -0.00
    10   8     0.00   0.01  -0.01     0.00   0.01  -0.01     0.01  -0.01  -0.04
    11   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.01  -0.02   0.01
    12   6     0.00   0.00   0.00    -0.00   0.01  -0.00     0.03  -0.05   0.01
    13   9     0.00  -0.00   0.00    -0.01   0.02   0.00     0.05  -0.10  -0.01
    14   6    -0.03   0.01  -0.03    -0.06  -0.00  -0.03     0.12   0.04   0.03
    15   6     0.00   0.00  -0.00     0.01  -0.00  -0.01    -0.08   0.07   0.03
    16   6     0.02  -0.03   0.00     0.03  -0.03   0.00    -0.07  -0.05  -0.02
    17   8     0.00  -0.01   0.01    -0.00   0.01  -0.01     0.00   0.09   0.04
    18   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.03  -0.02
    19   6    -0.01   0.00   0.00     0.01   0.00  -0.00    -0.02   0.01  -0.01
    20   6     0.00   0.01  -0.01    -0.00  -0.01   0.01    -0.04   0.00  -0.00
    21   6     0.01   0.01  -0.01    -0.01  -0.00   0.01    -0.03   0.01  -0.00
    22   6     0.01   0.00  -0.01    -0.01   0.00   0.01    -0.03   0.00  -0.04
    23   6     0.03   0.00  -0.02    -0.03   0.00   0.02    -0.10  -0.01   0.02
    24   6    -0.01  -0.01   0.01     0.01   0.01  -0.00    -0.12  -0.02   0.03
    25   6     0.02  -0.03  -0.00    -0.03   0.03   0.00    -0.07  -0.05   0.02
    26   6     0.01   0.00   0.00    -0.01   0.00  -0.01    -0.08   0.07  -0.03
    27   6    -0.04   0.01   0.03     0.05   0.00  -0.03     0.12   0.03  -0.03
    28   6     0.00   0.00  -0.00    -0.00  -0.01  -0.00     0.01  -0.02  -0.01
    29   6    -0.00   0.00  -0.00     0.00  -0.01  -0.00     0.03  -0.05  -0.01
    30   9     0.00  -0.00  -0.00     0.01  -0.02   0.00     0.05  -0.10   0.01
    31   8     0.00   0.01   0.01    -0.00  -0.01  -0.01     0.01  -0.01   0.04
    32   9    -0.00   0.01  -0.00     0.00  -0.01  -0.00     0.03  -0.06  -0.00
    33   9    -0.00   0.01  -0.00     0.01  -0.01   0.00     0.03  -0.05  -0.00
    34   9    -0.00   0.01   0.00    -0.01   0.01   0.00     0.03  -0.05   0.00
    35   9    -0.00   0.01   0.00    -0.01   0.01  -0.00     0.03  -0.06   0.00
    36   1    -0.04   0.01   0.04     0.03  -0.00  -0.03    -0.15  -0.00   0.13
    37   1    -0.03  -0.06   0.00     0.02   0.05  -0.00    -0.19  -0.07  -0.03
    38   1     0.03   0.03  -0.06    -0.03  -0.02   0.06    -0.10   0.02   0.06
    39   1     0.07  -0.01  -0.01    -0.07   0.02   0.01    -0.11  -0.04  -0.00
    40   1     0.01   0.01  -0.03    -0.01  -0.01   0.03    -0.02   0.01   0.01
    41   1    -0.10   0.27  -0.05     0.08  -0.24   0.05    -0.09  -0.01   0.05
    42   1     0.35  -0.13  -0.11    -0.33   0.12   0.11    -0.05  -0.09  -0.03
    43   1    -0.17  -0.30   0.16     0.14   0.27  -0.15    -0.11  -0.11   0.06
    44   1    -0.07   0.17  -0.02     0.06  -0.15   0.02    -0.11   0.13  -0.04
    45   1     0.04  -0.06   0.19    -0.04   0.06  -0.18    -0.02   0.11  -0.01
    46   1     0.06  -0.12  -0.14    -0.06   0.11   0.12    -0.14   0.05  -0.06
    47   1    -0.00   0.00   0.08     0.03   0.02  -0.07     0.24   0.17   0.01
    48   1    -0.04   0.01  -0.02     0.07  -0.02   0.02     0.21  -0.11  -0.10
    49   1    -0.10   0.01   0.05     0.11   0.01  -0.05     0.05   0.07  -0.00
    50   1     0.32  -0.12   0.11     0.36  -0.13   0.12    -0.04  -0.10   0.04
    51   1    -0.10   0.25   0.04    -0.09   0.26   0.05    -0.09  -0.01  -0.05
    52   1    -0.15  -0.28  -0.15    -0.15  -0.29  -0.16    -0.11  -0.11  -0.06
    53   1     0.05  -0.11   0.13     0.07  -0.12   0.13    -0.13   0.05   0.06
    54   1     0.04  -0.06  -0.18     0.04  -0.07  -0.20    -0.02   0.11   0.00
    55   1    -0.07   0.16   0.02    -0.07   0.16   0.02    -0.11   0.14   0.04
    56   1     0.03   0.03   0.05     0.03   0.02   0.06    -0.10   0.02  -0.06
    57   1     0.06  -0.01   0.01     0.07  -0.02   0.01    -0.11  -0.04   0.00
    58   1    -0.03  -0.06  -0.00    -0.02  -0.06  -0.01    -0.19  -0.07   0.03
    59   1    -0.04   0.01  -0.04    -0.03   0.01  -0.03    -0.15  -0.00  -0.13
    60   1     0.01   0.01   0.03     0.01   0.01   0.03    -0.02   0.01  -0.01
    61   1    -0.03   0.00   0.02    -0.07   0.02   0.02     0.21  -0.11   0.10
    62   1     0.00   0.00  -0.07    -0.03  -0.02  -0.08     0.24   0.17  -0.01
    63   1    -0.09   0.01  -0.05    -0.12  -0.01  -0.05     0.05   0.07  -0.00
                     28                     29                     30
                      A                      A                      A
 Frequencies --    236.6287               251.8655               255.6901
 Red. masses --      3.5713                 2.9348                 2.9903
 Frc consts  --      0.1178                 0.1097                 0.1152
 IR Inten    --      2.7494                 5.1001                 0.9391
 RamAct Fr= 1--      0.9581                 1.3893                 2.5661
  Dep-P Fr= 1--      0.6922                 0.7499                 0.2342
  Dep-U Fr= 1--      0.8181                 0.8571                 0.3796
 Alpha2 Fr= 1--      0.0010                 0.0000                 0.0318
 Beta2  Fr= 1--      0.1306                 0.1985                 0.1623
 AlphaG Fr= 1--     -0.0065                -0.0000                 0.0906
 Gamma2 Fr= 1--      0.4171                 0.5299                -3.0220
 Delta2 Fr= 1--      0.3731                 1.3799                -1.8953
 Raman1 Fr= 1--       3.833                  5.557                 10.265
 ROA1   Fr= 1--      51.976                 95.030               -350.766
 CID1   Fr= 1--      13.562                 17.100                -34.173
 Raman2 Fr= 1--       1.568                  2.382                  1.948
 ROA2   Fr= 1--       7.024                  1.679                -57.366
 CID2   Fr= 1--       4.481                  0.705                -29.448
 Raman3 Fr= 1--       3.135                  4.763                  3.896
 ROA3   Fr= 1--      51.976                 95.030               -350.766
 CID3   Fr= 1--      16.578                 19.951                -90.029
 RC180  Fr= 1--       0.636                  0.714                 -0.241
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03   0.02  -0.02    -0.08   0.01  -0.02     0.09  -0.01   0.01
     2   6     0.02  -0.00  -0.03    -0.02   0.02   0.00     0.02  -0.02  -0.01
     3   6     0.02  -0.01  -0.02    -0.01   0.02   0.04     0.01  -0.02  -0.05
     4   6     0.03  -0.02   0.02    -0.00   0.02   0.02     0.02  -0.03  -0.01
     5   6     0.01  -0.00  -0.01    -0.01   0.03   0.02     0.01  -0.03  -0.03
     6   6     0.07   0.03   0.01     0.01   0.03   0.03    -0.01  -0.04  -0.04
     7   6     0.02  -0.01  -0.01     0.00  -0.00   0.02     0.00  -0.00  -0.03
     8   8     0.02  -0.04   0.15    -0.00   0.02  -0.02     0.02  -0.04   0.06
     9  29    -0.00   0.00  -0.07     0.05  -0.04  -0.00    -0.00   0.00  -0.03
    10   8    -0.01   0.02   0.02     0.02  -0.01  -0.05    -0.02  -0.00   0.05
    11   6    -0.01   0.01   0.03     0.02   0.01   0.02    -0.02  -0.01  -0.00
    12   6    -0.02   0.02   0.03     0.01   0.02   0.02    -0.03   0.01  -0.00
    13   9    -0.00  -0.01   0.01     0.02  -0.03   0.00    -0.03   0.05   0.01
    14   6    -0.16  -0.02  -0.07    -0.06   0.08  -0.13     0.04  -0.09   0.12
    15   6     0.06  -0.09   0.00     0.02  -0.06   0.03    -0.02   0.06  -0.03
    16   6     0.01   0.01  -0.01     0.04  -0.11   0.01    -0.05   0.11  -0.02
    17   8    -0.02   0.04   0.15    -0.00   0.02   0.02    -0.02   0.04   0.06
    18   6    -0.03   0.02   0.02    -0.00   0.03  -0.02    -0.02   0.03  -0.01
    19   6    -0.01   0.00  -0.01    -0.01   0.03  -0.02    -0.01   0.03  -0.03
    20   6    -0.02   0.01  -0.01     0.00  -0.00  -0.02    -0.00   0.00  -0.03
    21   6    -0.02   0.00  -0.02    -0.02   0.02  -0.00    -0.02   0.02  -0.01
    22   6    -0.02   0.01  -0.02    -0.01   0.02  -0.05    -0.01   0.02  -0.05
    23   6    -0.03  -0.02  -0.02    -0.08   0.01   0.02    -0.08   0.01   0.01
    24   6    -0.07  -0.03   0.01     0.01   0.03  -0.03     0.01   0.04  -0.04
    25   6    -0.01  -0.01  -0.01     0.04  -0.11  -0.01     0.05  -0.11  -0.02
    26   6    -0.06   0.09   0.00     0.02  -0.06  -0.03     0.02  -0.06  -0.03
    27   6     0.16   0.02  -0.07    -0.06   0.08   0.13    -0.03   0.09   0.12
    28   6     0.01  -0.01   0.03     0.02   0.01  -0.02     0.02   0.01  -0.00
    29   6     0.02  -0.02   0.03     0.01   0.02  -0.02     0.03  -0.01  -0.00
    30   9     0.00   0.01   0.01     0.02  -0.03  -0.00     0.03  -0.05   0.01
    31   8     0.01  -0.02   0.02     0.02  -0.01   0.05     0.02   0.00   0.05
    32   9     0.03  -0.08   0.02    -0.00   0.01  -0.01     0.03  -0.05  -0.00
    33   9     0.01  -0.02   0.01    -0.03   0.06  -0.02    -0.01   0.02  -0.01
    34   9    -0.01   0.02   0.01    -0.03   0.06   0.02     0.01  -0.02  -0.01
    35   9    -0.03   0.08   0.02    -0.00   0.01   0.01    -0.03   0.05  -0.00
    36   1    -0.10  -0.01   0.09     0.06  -0.01  -0.08     0.07  -0.01  -0.10
    37   1    -0.11  -0.08  -0.02     0.03   0.12  -0.03     0.03   0.13  -0.04
    38   1    -0.03   0.01  -0.02    -0.09  -0.05   0.11    -0.09  -0.05   0.10
    39   1    -0.01  -0.04  -0.02    -0.18   0.03  -0.01    -0.19   0.03  -0.02
    40   1    -0.02   0.00  -0.03    -0.01   0.02   0.01    -0.02   0.02   0.00
    41   1    -0.06   0.11  -0.03     0.10  -0.26   0.01     0.11  -0.24  -0.01
    42   1     0.13  -0.05  -0.06    -0.08  -0.14  -0.05    -0.04  -0.14  -0.07
    43   1    -0.08  -0.12   0.07     0.14  -0.04   0.03     0.15  -0.05   0.04
    44   1    -0.11   0.15   0.00     0.06  -0.12  -0.03     0.05  -0.11  -0.02
    45   1     0.01   0.13   0.05    -0.03  -0.09  -0.07    -0.03  -0.08  -0.06
    46   1    -0.10   0.06  -0.02     0.05  -0.04  -0.01     0.06  -0.04  -0.01
    47   1     0.25   0.18  -0.10    -0.04  -0.02   0.24    -0.00   0.01   0.23
    48   1     0.26  -0.13  -0.12    -0.08   0.11   0.15    -0.04   0.10   0.17
    49   1     0.15   0.02  -0.07    -0.13   0.19   0.15    -0.09   0.22   0.13
    50   1    -0.13   0.06  -0.06    -0.08  -0.14   0.05     0.04   0.15  -0.07
    51   1     0.06  -0.11  -0.03     0.10  -0.26  -0.01    -0.11   0.24  -0.01
    52   1     0.08   0.12   0.07     0.14  -0.04  -0.03    -0.15   0.05   0.04
    53   1     0.10  -0.06  -0.02     0.05  -0.04   0.01    -0.06   0.04  -0.01
    54   1    -0.01  -0.13   0.05    -0.03  -0.09   0.07     0.03   0.08  -0.06
    55   1     0.11  -0.15   0.00     0.06  -0.12   0.03    -0.05   0.11  -0.02
    56   1     0.03  -0.01  -0.02    -0.09  -0.05  -0.11     0.09   0.05   0.11
    57   1     0.01   0.04  -0.02    -0.18   0.02   0.01     0.19  -0.03  -0.02
    58   1     0.11   0.09  -0.02     0.03   0.12   0.03    -0.03  -0.13  -0.04
    59   1     0.10   0.01   0.09     0.06  -0.01   0.08    -0.07   0.01  -0.10
    60   1     0.02  -0.00  -0.03    -0.01   0.02  -0.01     0.02  -0.02   0.00
    61   1    -0.26   0.13  -0.12    -0.08   0.11  -0.15     0.04  -0.10   0.17
    62   1    -0.25  -0.18  -0.10    -0.04  -0.02  -0.24     0.00  -0.01   0.24
    63   1    -0.15  -0.02  -0.07    -0.13   0.19  -0.14     0.09  -0.23   0.14
                     31                     32                     33
                      A                      A                      A
 Frequencies --    264.9147               270.2058               275.5423
 Red. masses --     11.5054                 7.2153                 8.8991
 Frc consts  --      0.4757                 0.3104                 0.3981
 IR Inten    --     31.8647                17.9328                 4.4600
 RamAct Fr= 1--      0.3569                 0.2865                 0.3124
  Dep-P Fr= 1--      0.7500                 0.7499                 0.6075
  Dep-U Fr= 1--      0.8571                 0.8571                 0.7558
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0008
 Beta2  Fr= 1--      0.0510                 0.0409                 0.0394
 AlphaG Fr= 1--      0.0000                 0.0000                 0.0643
 Gamma2 Fr= 1--      1.6483                -1.8084                 0.3787
 Delta2 Fr= 1--      0.8575                -1.1356                -0.4918
 Raman1 Fr= 1--       1.428                  1.146                  1.249
 ROA1   Fr= 1--     185.682               -209.942                 20.617
 CID1   Fr= 1--     130.049               -183.168                 16.500
 Raman2 Fr= 1--       0.612                  0.491                  0.472
 ROA2   Fr= 1--      32.700                -34.315                 13.024
 CID2   Fr= 1--      53.440                -69.862                 27.580
 Raman3 Fr= 1--       1.224                  0.982                  0.944
 ROA3   Fr= 1--     185.682               -209.942                 20.617
 CID3   Fr= 1--     151.723               -213.707                 21.830
 RC180  Fr= 1--       0.714                  0.714                  0.512
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.07   0.02     0.00  -0.04  -0.04     0.01   0.01   0.03
     2   6    -0.02  -0.03   0.03     0.03  -0.02  -0.02    -0.00  -0.00   0.01
     3   6    -0.02   0.00   0.01     0.03  -0.01   0.00     0.00   0.01  -0.01
     4   6     0.01   0.00   0.04     0.04  -0.02  -0.03    -0.01  -0.01   0.07
     5   6    -0.01  -0.03   0.03     0.01  -0.02  -0.05    -0.02  -0.01   0.05
     6   6    -0.11  -0.09  -0.03    -0.02  -0.04  -0.07    -0.08  -0.04   0.02
     7   6    -0.02  -0.02   0.02     0.00  -0.01  -0.04     0.00  -0.01   0.04
     8   8     0.02   0.04  -0.03     0.04  -0.04   0.02    -0.01  -0.01   0.04
     9  29     0.23  -0.06  -0.00     0.11  -0.07  -0.00     0.00  -0.00  -0.08
    10   8     0.01  -0.07   0.18     0.01   0.01  -0.14     0.01  -0.04   0.28
    11   6     0.01   0.02  -0.05     0.01   0.01   0.05     0.01   0.01  -0.04
    12   6    -0.02   0.08  -0.10    -0.03   0.05   0.09     0.02   0.02  -0.12
    13   9    -0.11   0.28   0.01     0.01  -0.07   0.03    -0.06   0.22  -0.01
    14   6    -0.07  -0.05   0.04    -0.02  -0.10   0.11    -0.02   0.04  -0.06
    15   6    -0.03  -0.01  -0.01    -0.02   0.03   0.00     0.03  -0.06   0.01
    16   6    -0.03   0.01   0.03    -0.10   0.02  -0.07     0.03   0.02   0.06
    17   8     0.02   0.04   0.03     0.04  -0.04  -0.02     0.01   0.01   0.04
    18   6     0.01   0.00  -0.04     0.04  -0.02   0.03     0.01   0.01   0.07
    19   6    -0.01  -0.03  -0.03     0.01  -0.02   0.05     0.02   0.01   0.05
    20   6    -0.02  -0.02  -0.02     0.00  -0.01   0.04    -0.00   0.01   0.04
    21   6    -0.02  -0.03  -0.03     0.03  -0.02   0.02     0.00   0.00   0.01
    22   6    -0.02   0.00  -0.01     0.03  -0.01  -0.00    -0.00  -0.01  -0.01
    23   6    -0.04  -0.07  -0.02     0.00  -0.04   0.04    -0.01  -0.01   0.03
    24   6    -0.11  -0.09   0.03    -0.02  -0.04   0.07     0.08   0.04   0.02
    25   6    -0.03   0.01  -0.03    -0.10   0.02   0.07    -0.03  -0.02   0.06
    26   6    -0.03  -0.01   0.01    -0.02   0.03  -0.00    -0.03   0.06   0.01
    27   6    -0.07  -0.05  -0.04    -0.02  -0.10  -0.11     0.02  -0.04  -0.06
    28   6     0.01   0.02   0.05     0.01   0.01  -0.05    -0.01  -0.01  -0.04
    29   6    -0.02   0.08   0.10    -0.03   0.05  -0.09    -0.02  -0.02  -0.12
    30   9    -0.11   0.28  -0.01     0.01  -0.07  -0.03     0.06  -0.22  -0.01
    31   8     0.01  -0.07  -0.18     0.01   0.01   0.14    -0.01   0.04   0.28
    32   9     0.02  -0.10   0.07    -0.08   0.22  -0.05    -0.07   0.21  -0.07
    33   9    -0.05   0.09   0.05    -0.07   0.10  -0.06    -0.01  -0.01  -0.07
    34   9    -0.05   0.09  -0.05    -0.07   0.10   0.06     0.01   0.01  -0.07
    35   9     0.02  -0.10  -0.07    -0.08   0.22   0.05     0.07  -0.21  -0.07
    36   1    -0.18  -0.05   0.16    -0.04  -0.03   0.12     0.15  -0.02  -0.05
    37   1    -0.20  -0.21  -0.03    -0.05  -0.08   0.05     0.14   0.12   0.06
    38   1    -0.04  -0.01  -0.02     0.00  -0.02   0.04    -0.01  -0.08   0.06
    39   1     0.00  -0.12  -0.03     0.01  -0.06   0.03    -0.07   0.01   0.02
    40   1    -0.04  -0.04  -0.04     0.04  -0.01   0.01     0.02   0.01   0.01
    41   1    -0.04   0.04  -0.03    -0.10   0.03   0.13    -0.03  -0.02   0.09
    42   1    -0.01   0.03  -0.01    -0.15   0.04   0.09    -0.05  -0.04   0.03
    43   1    -0.06   0.00  -0.05    -0.14   0.03  -0.01    -0.04  -0.03   0.06
    44   1    -0.04  -0.06   0.03    -0.04   0.11  -0.02    -0.08   0.21  -0.02
    45   1    -0.01   0.02  -0.03     0.01   0.03   0.05     0.03   0.05   0.14
    46   1    -0.04   0.03   0.06    -0.06  -0.02  -0.06    -0.05  -0.03  -0.10
    47   1    -0.05  -0.06  -0.01    -0.05  -0.04  -0.20    -0.02   0.01  -0.16
    48   1    -0.10  -0.02  -0.11    -0.04  -0.07  -0.19     0.01  -0.03  -0.09
    49   1    -0.13  -0.10  -0.01    -0.00  -0.27  -0.10     0.07  -0.15  -0.08
    50   1    -0.01   0.03   0.01    -0.15   0.04  -0.09     0.04   0.04   0.03
    51   1    -0.05   0.04   0.03    -0.10   0.03  -0.13     0.03   0.02   0.09
    52   1    -0.06   0.00   0.05    -0.14   0.03   0.01     0.04   0.03   0.06
    53   1    -0.04   0.03  -0.06    -0.06  -0.02   0.06     0.05   0.03  -0.10
    54   1    -0.01   0.02   0.03     0.01   0.03  -0.05    -0.03  -0.05   0.14
    55   1    -0.04  -0.05  -0.03    -0.04   0.11   0.02     0.08  -0.21  -0.02
    56   1    -0.04  -0.01   0.02     0.00  -0.02  -0.04     0.01   0.08   0.06
    57   1     0.00  -0.12   0.03     0.01  -0.06  -0.03     0.07  -0.01   0.02
    58   1    -0.20  -0.21   0.03    -0.05  -0.08  -0.05    -0.15  -0.12   0.06
    59   1    -0.18  -0.05  -0.16    -0.04  -0.03  -0.12    -0.15   0.02  -0.05
    60   1    -0.04  -0.04   0.04     0.04  -0.01  -0.01    -0.02  -0.01   0.01
    61   1    -0.10  -0.02   0.11    -0.04  -0.07   0.19    -0.01   0.03  -0.09
    62   1    -0.05  -0.06   0.01    -0.05  -0.04   0.20     0.02  -0.01  -0.16
    63   1    -0.13  -0.10   0.01    -0.00  -0.27   0.10    -0.07   0.15  -0.08
                     34                     35                     36
                      A                      A                      A
 Frequencies --    285.6241               289.2347               308.7917
 Red. masses --      4.6184                 5.4161                 4.4987
 Frc consts  --      0.2220                 0.2670                 0.2527
 IR Inten    --      0.1571                12.3223                 1.0010
 RamAct Fr= 1--      7.1479                 0.0309                 0.5716
  Dep-P Fr= 1--      0.2532                 0.7451                 0.7497
  Dep-U Fr= 1--      0.4041                 0.8540                 0.8569
 Alpha2 Fr= 1--      0.0839                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4815                 0.0044                 0.0816
 AlphaG Fr= 1--     -0.0682                 0.0000                 0.0000
 Gamma2 Fr= 1--      0.9868                -0.6282                -0.5682
 Delta2 Fr= 1--      0.5188                -0.4745                -0.0944
 Raman1 Fr= 1--      28.592                  0.123                  2.286
 ROA1   Fr= 1--     111.334                -75.489                -57.566
 CID1   Fr= 1--       3.894               -611.302                -25.180
 Raman2 Fr= 1--       5.778                  0.053                  0.980
 ROA2   Fr= 1--      19.533                -11.281                -12.881
 CID2   Fr= 1--       3.381               -213.940                -13.150
 Raman3 Fr= 1--      11.555                  0.105                  1.959
 ROA3   Fr= 1--     111.334                -75.489                -57.566
 CID3   Fr= 1--       9.635               -715.844                -29.383
 RC180  Fr= 1--      -0.192                  0.708                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.05  -0.04     0.03   0.02   0.03     0.03  -0.10   0.04
     2   6     0.04  -0.01   0.00    -0.05   0.00  -0.00    -0.08  -0.02   0.03
     3   6     0.06   0.00   0.04    -0.07  -0.00  -0.03    -0.06   0.05  -0.03
     4   6     0.03  -0.02   0.01    -0.02   0.03  -0.02    -0.05   0.06  -0.04
     5   6     0.00  -0.03  -0.01    -0.00   0.02  -0.00    -0.02   0.01  -0.03
     6   6    -0.12  -0.08  -0.07     0.13   0.07   0.06     0.13  -0.03   0.01
     7   6     0.02  -0.02  -0.01    -0.02   0.01   0.00    -0.05  -0.01  -0.01
     8   8     0.02  -0.03  -0.04    -0.01   0.06   0.05    -0.05   0.07   0.06
     9  29    -0.00   0.00   0.02     0.11  -0.03  -0.00    -0.00   0.00  -0.00
    10   8     0.06   0.06  -0.02    -0.06  -0.09  -0.02     0.00  -0.03   0.00
    11   6     0.07   0.04   0.01    -0.07  -0.04  -0.01     0.00   0.02  -0.00
    12   6     0.05   0.06   0.01    -0.06  -0.04   0.00     0.06   0.02   0.00
    13   9     0.06   0.01  -0.01    -0.07  -0.01   0.02     0.09  -0.05  -0.03
    14   6    -0.05  -0.07   0.05     0.03   0.04  -0.02    -0.04  -0.04   0.06
    15   6     0.02  -0.06   0.04    -0.04   0.08  -0.05    -0.07   0.03  -0.11
    16   6    -0.08  -0.02  -0.04     0.06   0.01   0.02     0.01  -0.03  -0.00
    17   8    -0.02   0.03  -0.04    -0.01   0.06  -0.05    -0.04   0.07  -0.05
    18   6    -0.03   0.02   0.01    -0.02   0.03   0.02    -0.05   0.05   0.03
    19   6    -0.00   0.03  -0.01    -0.00   0.02   0.00    -0.02   0.01   0.03
    20   6    -0.02   0.02  -0.01    -0.02   0.01  -0.00    -0.05  -0.01   0.01
    21   6    -0.04   0.01   0.00    -0.05   0.00   0.00    -0.07  -0.02  -0.03
    22   6    -0.06  -0.00   0.04    -0.07  -0.00   0.03    -0.06   0.05   0.03
    23   6     0.04   0.05  -0.04     0.03   0.02  -0.03     0.02  -0.09  -0.04
    24   6     0.12   0.08  -0.07     0.13   0.07  -0.06     0.12  -0.03  -0.01
    25   6     0.08   0.02  -0.04     0.06   0.01  -0.02     0.01  -0.03   0.00
    26   6    -0.02   0.06   0.04    -0.04   0.08   0.05    -0.06   0.03   0.10
    27   6     0.05   0.07   0.05     0.03   0.04   0.02    -0.04  -0.03  -0.06
    28   6    -0.07  -0.04   0.01    -0.07  -0.04   0.01     0.00   0.02   0.00
    29   6    -0.05  -0.06   0.01    -0.06  -0.04  -0.00     0.06   0.02  -0.00
    30   9    -0.06  -0.01  -0.01    -0.07  -0.01  -0.02     0.08  -0.04   0.03
    31   8    -0.06  -0.06  -0.02    -0.06  -0.09   0.02     0.00  -0.02  -0.00
    32   9    -0.06   0.01   0.02    -0.09   0.06   0.01     0.08  -0.07  -0.02
    33   9     0.07  -0.18   0.02     0.05  -0.15   0.01    -0.04   0.11  -0.01
    34   9    -0.07   0.18   0.02     0.05  -0.15  -0.01    -0.04   0.12   0.01
    35   9     0.06  -0.01   0.02    -0.09   0.06  -0.01     0.08  -0.08   0.02
    36   1     0.18   0.04  -0.21     0.21   0.01  -0.20     0.20  -0.09  -0.10
    37   1     0.21   0.19  -0.01     0.24   0.20   0.01     0.22   0.05   0.07
    38   1     0.05  -0.01  -0.08     0.04  -0.06  -0.07     0.03  -0.18  -0.06
    39   1     0.04   0.12   0.01     0.01   0.09   0.01    -0.01  -0.06  -0.03
    40   1    -0.05   0.01   0.01    -0.07  -0.00  -0.01    -0.13  -0.05  -0.09
    41   1     0.06   0.07  -0.11     0.04   0.07  -0.09     0.02  -0.05  -0.03
    42   1     0.19   0.00  -0.05     0.16  -0.01  -0.04     0.03  -0.05  -0.02
    43   1     0.08  -0.03   0.04     0.06  -0.04   0.05     0.04  -0.03   0.06
    44   1    -0.06   0.11   0.03    -0.11   0.18   0.04    -0.14   0.05   0.12
    45   1     0.02   0.07   0.09     0.03   0.10   0.15    -0.00   0.05   0.16
    46   1    -0.03   0.03   0.00    -0.06   0.03  -0.01    -0.05   0.03   0.10
    47   1     0.05   0.06   0.06     0.01   0.03  -0.00    -0.09  -0.01  -0.14
    48   1     0.08   0.04   0.15     0.04   0.03   0.09    -0.06   0.00  -0.09
    49   1     0.10   0.17   0.02     0.08   0.08  -0.00     0.01  -0.14  -0.07
    50   1    -0.19  -0.00  -0.05     0.16  -0.01   0.04     0.03  -0.05   0.02
    51   1    -0.06  -0.07  -0.11     0.04   0.07   0.09     0.02  -0.05   0.03
    52   1    -0.08   0.03   0.04     0.06  -0.04  -0.05     0.05  -0.03  -0.06
    53   1     0.03  -0.03   0.00    -0.06   0.03   0.01    -0.05   0.03  -0.11
    54   1    -0.02  -0.07   0.09     0.03   0.10  -0.15    -0.01   0.06  -0.18
    55   1     0.06  -0.11   0.03    -0.11   0.18  -0.04    -0.15   0.06  -0.14
    56   1    -0.05   0.01  -0.08     0.04  -0.06   0.07     0.03  -0.20   0.06
    57   1    -0.04  -0.12   0.01     0.01   0.09  -0.01    -0.01  -0.07   0.04
    58   1    -0.21  -0.20  -0.01     0.24   0.20  -0.01     0.24   0.06  -0.08
    59   1    -0.18  -0.04  -0.21     0.21   0.01   0.20     0.21  -0.10   0.11
    60   1     0.05  -0.01   0.01    -0.07  -0.00   0.01    -0.14  -0.05   0.10
    61   1    -0.08  -0.04   0.15     0.04   0.03  -0.09    -0.07   0.00   0.09
    62   1    -0.05  -0.06   0.06     0.01   0.03   0.00    -0.09  -0.01   0.15
    63   1    -0.10  -0.17   0.02     0.08   0.08   0.00     0.01  -0.15   0.07
                     37                     38                     39
                      A                      A                      A
 Frequencies --    309.3359               322.3819               322.7662
 Red. masses --      4.5278                 1.9993                 2.0397
 Frc consts  --      0.2553                 0.1224                 0.1252
 IR Inten    --      0.2547                 0.5277                 1.7195
 RamAct Fr= 1--      0.9537                 0.1352                 0.3089
  Dep-P Fr= 1--      0.6895                 0.4074                 0.7480
  Dep-U Fr= 1--      0.8162                 0.5789                 0.8558
 Alpha2 Fr= 1--      0.0010                 0.0010                 0.0000
 Beta2  Fr= 1--      0.1297                 0.0130                 0.0441
 AlphaG Fr= 1--      0.0041                 0.0098                 0.0000
 Gamma2 Fr= 1--      1.2379                -0.3269                 0.3278
 Delta2 Fr= 1--      0.9016                -0.3509                 0.1539
 Raman1 Fr= 1--       3.815                  0.541                  1.235
 ROA1   Fr= 1--     147.693                -42.608                 36.397
 CID1   Fr= 1--      38.714                -78.767                 29.461
 Raman2 Fr= 1--       1.557                  0.157                  0.529
 ROA2   Fr= 1--      22.497                 -5.038                  6.637
 CID2   Fr= 1--      14.449                -32.176                 12.555
 Raman3 Fr= 1--       3.114                  0.313                  1.057
 ROA3   Fr= 1--     147.693                -42.608                 36.397
 CID3   Fr= 1--      47.430               -136.056                 34.424
 RC180  Fr= 1--       0.632                  0.158                  0.712
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.05   0.08  -0.05    -0.09  -0.05  -0.05     0.11   0.05   0.06
     2   6     0.08   0.02  -0.02     0.01  -0.01   0.00    -0.02   0.01  -0.00
     3   6     0.07  -0.05   0.05     0.02  -0.02   0.05    -0.03   0.03  -0.06
     4   6     0.06  -0.06   0.03     0.03  -0.01   0.01    -0.03   0.02  -0.01
     5   6     0.02  -0.01   0.03     0.02  -0.00  -0.02    -0.02   0.01   0.02
     6   6    -0.12   0.03  -0.01     0.07   0.01   0.01    -0.07  -0.02  -0.01
     7   6     0.06   0.01   0.01     0.01   0.01  -0.01    -0.02  -0.01   0.01
     8   8     0.05  -0.07  -0.07     0.03  -0.02   0.02    -0.03   0.04  -0.01
     9  29     0.00   0.00   0.02     0.00  -0.00  -0.01     0.02  -0.00   0.00
    10   8    -0.00   0.03  -0.03     0.00   0.01   0.02    -0.01  -0.02  -0.02
    11   6     0.00  -0.01   0.00     0.01  -0.00   0.01    -0.01   0.00  -0.01
    12   6    -0.05  -0.02  -0.00    -0.00   0.01  -0.01     0.00  -0.00   0.02
    13   9    -0.07   0.04   0.02    -0.01   0.04   0.00     0.01  -0.05  -0.00
    14   6     0.03   0.03  -0.05    -0.00  -0.02   0.00    -0.01   0.02  -0.00
    15   6     0.07  -0.02   0.12    -0.01   0.07   0.03     0.01  -0.07  -0.04
    16   6    -0.02   0.02  -0.01    -0.04   0.00  -0.02     0.04  -0.00   0.02
    17   8    -0.06   0.08  -0.08    -0.03   0.02   0.02    -0.02   0.03   0.01
    18   6    -0.06   0.06   0.03    -0.03   0.02   0.01    -0.03   0.02   0.01
    19   6    -0.03   0.01   0.03    -0.03   0.00  -0.02    -0.02   0.00  -0.02
    20   6    -0.06  -0.01   0.01    -0.02  -0.01  -0.01    -0.02  -0.01  -0.01
    21   6    -0.08  -0.02  -0.03    -0.02   0.01   0.00    -0.02   0.01   0.00
    22   6    -0.07   0.06   0.05    -0.02   0.02   0.06    -0.02   0.02   0.06
    23   6     0.05  -0.09  -0.05     0.10   0.06  -0.06     0.09   0.05  -0.05
    24   6     0.13  -0.03  -0.02    -0.08  -0.02   0.01    -0.06  -0.02   0.01
    25   6     0.02  -0.02  -0.00     0.04  -0.00  -0.02     0.03  -0.00  -0.02
    26   6    -0.07   0.02   0.13     0.01  -0.07   0.04     0.01  -0.06   0.04
    27   6    -0.03  -0.03  -0.06     0.00   0.02   0.00    -0.01   0.02   0.00
    28   6     0.00   0.01   0.00    -0.01   0.00   0.01    -0.01   0.00   0.01
    29   6     0.05   0.02  -0.00     0.00  -0.01  -0.02     0.00  -0.00  -0.01
    30   9     0.08  -0.04   0.03     0.01  -0.05   0.00     0.01  -0.04   0.00
    31   8     0.00  -0.04  -0.03    -0.01  -0.01   0.02    -0.01  -0.02   0.01
    32   9     0.07  -0.08  -0.02    -0.01   0.03  -0.01    -0.00   0.02  -0.01
    33   9    -0.04   0.11  -0.01    -0.00  -0.01  -0.02    -0.00   0.00  -0.01
    34   9     0.03  -0.10  -0.01     0.00   0.01  -0.02    -0.00  -0.00   0.02
    35   9    -0.07   0.07  -0.01     0.01  -0.02  -0.01    -0.00   0.02   0.01
    36   1     0.20  -0.09  -0.11    -0.20   0.09   0.12    -0.17   0.08   0.11
    37   1     0.24   0.04   0.08    -0.15  -0.20  -0.01    -0.13  -0.18  -0.01
    38   1     0.06  -0.17  -0.11     0.12   0.18  -0.24     0.11   0.15  -0.22
    39   1     0.05  -0.05  -0.03     0.31   0.03   0.02     0.28   0.02   0.02
    40   1    -0.16  -0.05  -0.10    -0.04  -0.00  -0.01    -0.05  -0.01  -0.01
    41   1     0.03  -0.05  -0.05     0.06  -0.05  -0.06     0.05  -0.04  -0.05
    42   1     0.05  -0.04  -0.02     0.02   0.01  -0.01     0.02   0.01  -0.01
    43   1     0.07  -0.02   0.05     0.09   0.03  -0.01     0.08   0.03  -0.01
    44   1    -0.15   0.02   0.16     0.09  -0.28   0.08     0.07  -0.24   0.08
    45   1    -0.01   0.06   0.16    -0.06  -0.05  -0.14    -0.05  -0.04  -0.12
    46   1    -0.05   0.04   0.15     0.05   0.06   0.20     0.03   0.05   0.18
    47   1    -0.09  -0.01  -0.14     0.01   0.02   0.01    -0.00   0.02   0.01
    48   1    -0.06   0.00  -0.08     0.01   0.00   0.02     0.00   0.01   0.01
    49   1     0.02  -0.13  -0.07     0.00   0.05   0.00    -0.01   0.04  -0.00
    50   1    -0.05   0.04  -0.02    -0.02  -0.01  -0.01     0.02   0.01   0.01
    51   1    -0.03   0.04  -0.05    -0.05   0.04  -0.05     0.06  -0.05   0.06
    52   1    -0.06   0.02   0.05    -0.08  -0.03  -0.01     0.09   0.03   0.01
    53   1     0.04  -0.04   0.14    -0.04  -0.05   0.17     0.04   0.06  -0.20
    54   1     0.01  -0.05   0.15     0.05   0.05  -0.12    -0.06  -0.04   0.13
    55   1     0.14  -0.01   0.15    -0.08   0.25   0.07     0.08  -0.28  -0.09
    56   1    -0.06   0.16  -0.10    -0.10  -0.16  -0.21     0.12   0.17   0.25
    57   1    -0.05   0.05  -0.03    -0.27  -0.03   0.02     0.32   0.03  -0.02
    58   1    -0.22  -0.04   0.07     0.13   0.18  -0.01    -0.14  -0.20   0.01
    59   1    -0.18   0.08  -0.11     0.18  -0.08   0.11    -0.20   0.09  -0.12
    60   1     0.15   0.05  -0.09     0.03   0.00  -0.00    -0.05  -0.01   0.01
    61   1     0.05  -0.00  -0.07    -0.01  -0.00   0.02     0.00   0.01  -0.02
    62   1     0.08   0.01  -0.13    -0.01  -0.02   0.01     0.00   0.02  -0.01
    63   1    -0.01   0.12  -0.07    -0.00  -0.05   0.00    -0.00   0.05   0.00
                     40                     41                     42
                      A                      A                      A
 Frequencies --    369.2201               383.2182               394.0338
 Red. masses --      4.3712                 3.3183                 2.7927
 Frc consts  --      0.3511                 0.2871                 0.2555
 IR Inten    --      0.0960                 5.9168                 0.0328
 RamAct Fr= 1--      7.7448                 0.3887                 2.5325
  Dep-P Fr= 1--      0.0418                 0.7497                 0.0546
  Dep-U Fr= 1--      0.0802                 0.8570                 0.1035
 Alpha2 Fr= 1--      0.1560                 0.0000                 0.0495
 Beta2  Fr= 1--      0.1035                 0.0555                 0.0437
 AlphaG Fr= 1--      0.0422                 0.0000                 0.0395
 Gamma2 Fr= 1--      1.3363                -1.5196                 0.1060
 Delta2 Fr= 1--      0.5621                -0.2350                 0.3297
 Raman1 Fr= 1--      30.979                  1.555                 10.130
 ROA1   Fr= 1--     146.270               -153.407                 20.728
 CID1   Fr= 1--       4.722                -98.659                  2.046
 Raman2 Fr= 1--       1.242                  0.666                  0.524
 ROA2   Fr= 1--      27.574                -34.591                 -0.093
 CID2   Fr= 1--      22.204                -51.918                 -0.177
 Raman3 Fr= 1--       2.484                  1.333                  1.049
 ROA3   Fr= 1--     146.270               -153.407                 20.728
 CID3   Fr= 1--      58.891               -115.124                 19.766
 RC180  Fr= 1--      -0.840                  0.714                 -0.793
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.06   0.00    -0.00  -0.06  -0.01    -0.02   0.00  -0.05
     2   6     0.01  -0.03  -0.02    -0.02   0.04   0.02    -0.03  -0.02  -0.05
     3   6     0.02  -0.05  -0.04    -0.03   0.05   0.04    -0.04   0.00  -0.05
     4   6    -0.01  -0.10  -0.01    -0.01   0.07  -0.00    -0.02   0.00  -0.03
     5   6    -0.05  -0.06   0.04     0.03   0.06  -0.06     0.00  -0.02  -0.02
     6   6     0.01   0.04   0.10     0.00  -0.03  -0.10    -0.01  -0.00  -0.03
     7   6    -0.04  -0.05   0.02     0.03   0.06  -0.03     0.01  -0.03  -0.01
     8   8    -0.03  -0.18  -0.03    -0.01   0.09   0.02    -0.02   0.02   0.01
     9  29    -0.00  -0.00   0.01    -0.02  -0.04   0.00    -0.00  -0.00   0.00
    10   8     0.00  -0.05  -0.02    -0.01  -0.02  -0.00    -0.04  -0.06  -0.01
    11   6     0.00  -0.03  -0.02    -0.01   0.02   0.02    -0.03  -0.01  -0.02
    12   6     0.01   0.03   0.01    -0.00  -0.01  -0.01     0.01   0.01   0.00
    13   9     0.03   0.03   0.00    -0.02  -0.01   0.00     0.03  -0.01  -0.01
    14   6     0.08   0.00  -0.07    -0.05   0.00   0.06     0.00  -0.04  -0.01
    15   6    -0.06  -0.00  -0.08     0.07  -0.00   0.13    -0.00   0.01   0.16
    16   6    -0.02   0.03   0.06     0.06  -0.01  -0.05     0.12   0.07   0.05
    17   8     0.03   0.18  -0.03    -0.01   0.09  -0.02     0.02  -0.02   0.01
    18   6     0.01   0.10  -0.01    -0.01   0.07   0.00     0.02  -0.00  -0.03
    19   6     0.05   0.06   0.04     0.03   0.06   0.06    -0.00   0.02  -0.02
    20   6     0.04   0.05   0.02     0.03   0.06   0.03    -0.01   0.03  -0.01
    21   6    -0.01   0.03  -0.02    -0.02   0.04  -0.02     0.03   0.02  -0.06
    22   6    -0.02   0.06  -0.04    -0.03   0.05  -0.04     0.04  -0.00  -0.06
    23   6    -0.00  -0.06   0.00     0.00  -0.06   0.01     0.02  -0.00  -0.05
    24   6    -0.01  -0.04   0.10     0.00  -0.03   0.10     0.01   0.00  -0.03
    25   6     0.02  -0.03   0.06     0.06  -0.01   0.05    -0.12  -0.07   0.05
    26   6     0.06   0.00  -0.08     0.07  -0.00  -0.13     0.00  -0.01   0.16
    27   6    -0.08  -0.00  -0.07    -0.05   0.00  -0.06    -0.00   0.04  -0.01
    28   6    -0.00   0.03  -0.02    -0.01   0.02  -0.02     0.03   0.01  -0.02
    29   6    -0.01  -0.03   0.01    -0.00  -0.01   0.01    -0.01  -0.01   0.01
    30   9    -0.03  -0.03   0.00    -0.02  -0.01  -0.00    -0.03   0.01  -0.01
    31   8    -0.00   0.05  -0.02    -0.01  -0.02   0.00     0.04   0.06  -0.01
    32   9    -0.02  -0.04   0.02    -0.02  -0.03   0.02    -0.02  -0.00   0.02
    33   9     0.06  -0.10   0.02     0.03  -0.05   0.01     0.03  -0.04   0.01
    34   9    -0.06   0.10   0.02     0.03  -0.05  -0.01    -0.03   0.04   0.01
    35   9     0.02   0.04   0.02    -0.02  -0.03  -0.02     0.02   0.00   0.02
    36   1    -0.02  -0.05   0.23     0.01  -0.05   0.20     0.01   0.01  -0.02
    37   1    -0.06  -0.14   0.07    -0.02  -0.10   0.10     0.02  -0.01  -0.02
    38   1     0.00  -0.06  -0.02     0.01  -0.06  -0.02     0.02  -0.01  -0.03
    39   1     0.02  -0.12  -0.02     0.02  -0.11  -0.01     0.01  -0.01  -0.06
    40   1    -0.05   0.02  -0.07    -0.04   0.03  -0.06     0.05   0.04  -0.10
    41   1     0.04  -0.10   0.10     0.09  -0.08   0.05    -0.11  -0.12   0.22
    42   1    -0.05  -0.08  -0.01     0.03  -0.06  -0.01    -0.25  -0.13  -0.04
    43   1     0.05  -0.02   0.10     0.12   0.00   0.12    -0.16  -0.10   0.03
    44   1     0.15  -0.00  -0.11     0.21   0.02  -0.19    -0.11  -0.13   0.24
    45   1    -0.00  -0.03  -0.13    -0.03  -0.07  -0.19     0.03   0.01   0.18
    46   1     0.04  -0.01  -0.10     0.03  -0.04  -0.17     0.13   0.07   0.26
    47   1    -0.12  -0.01  -0.12    -0.09   0.03  -0.14     0.00   0.03  -0.00
    48   1    -0.15   0.10  -0.20    -0.10   0.07  -0.18    -0.00   0.03  -0.01
    49   1    -0.11  -0.20  -0.04    -0.06  -0.19  -0.05    -0.01   0.05  -0.01
    50   1     0.05   0.08  -0.01     0.03  -0.06   0.01     0.25   0.13  -0.04
    51   1    -0.04   0.10   0.10     0.09  -0.08  -0.05     0.11   0.12   0.22
    52   1    -0.05   0.02   0.10     0.12   0.00  -0.12     0.15   0.10   0.03
    53   1    -0.04   0.01  -0.10     0.03  -0.04   0.17    -0.13  -0.07   0.25
    54   1     0.00   0.03  -0.13    -0.03  -0.07   0.19    -0.03  -0.01   0.18
    55   1    -0.15   0.00  -0.11     0.21   0.02   0.19     0.11   0.13   0.24
    56   1    -0.00   0.06  -0.02     0.01  -0.06   0.02    -0.02   0.01  -0.03
    57   1    -0.02   0.12  -0.02     0.02  -0.11   0.01    -0.01   0.01  -0.06
    58   1     0.06   0.14   0.07    -0.02  -0.10  -0.10    -0.02   0.01  -0.02
    59   1     0.02   0.05   0.23     0.01  -0.05  -0.20    -0.01  -0.01  -0.02
    60   1     0.05  -0.02  -0.07    -0.04   0.03   0.06    -0.05  -0.04  -0.09
    61   1     0.15  -0.10  -0.20    -0.10   0.07   0.18     0.00  -0.03  -0.01
    62   1     0.12   0.01  -0.11    -0.09   0.03   0.14    -0.00  -0.03  -0.00
    63   1     0.11   0.20  -0.04    -0.06  -0.19   0.05     0.00  -0.05  -0.01
                     43                     44                     45
                      A                      A                      A
 Frequencies --    394.6257               425.5768               446.2836
 Red. masses --      2.8783                 3.5301                 5.2212
 Frc consts  --      0.2641                 0.3767                 0.6127
 IR Inten    --      0.1958                 0.0127                 0.0923
 RamAct Fr= 1--      0.0475                 1.8602                12.7140
  Dep-P Fr= 1--      0.7499                 0.5949                 0.2854
  Dep-U Fr= 1--      0.8571                 0.7460                 0.4440
 Alpha2 Fr= 1--      0.0000                 0.0054                 0.1362
 Beta2  Fr= 1--      0.0068                 0.2313                 0.9409
 AlphaG Fr= 1--      0.0000                 0.0084                -0.3153
 Gamma2 Fr= 1--     -0.4793                 0.3221                 6.3449
 Delta2 Fr= 1--     -0.5354                -0.6715                 4.6312
 Raman1 Fr= 1--       0.190                  7.441                 50.856
 ROA1   Fr= 1--     -63.144                  9.434                757.307
 CID1   Fr= 1--    -332.273                  1.268                 14.891
 Raman2 Fr= 1--       0.081                  2.775                 11.291
 ROA2   Fr= 1--      -7.219                 13.103                115.227
 CID2   Fr= 1--     -88.647                  4.721                 10.205
 Raman3 Fr= 1--       0.163                  5.551                 22.581
 ROA3   Fr= 1--     -63.144                  9.434                757.307
 CID3   Fr= 1--    -387.684                  1.700                 33.537
 RC180  Fr= 1--       0.714                  0.492                 -0.112
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.05     0.02  -0.02   0.03     0.04   0.06   0.04
     2   6    -0.02  -0.03  -0.07    -0.00   0.06   0.05    -0.01  -0.02  -0.01
     3   6    -0.04  -0.01  -0.07     0.00  -0.01   0.07    -0.07  -0.05   0.12
     4   6    -0.01  -0.02  -0.02    -0.04  -0.03  -0.02     0.02  -0.00   0.07
     5   6     0.00  -0.05  -0.00    -0.06   0.06  -0.09     0.06   0.00   0.02
     6   6    -0.02   0.00  -0.00     0.03   0.01  -0.07     0.01   0.04   0.02
     7   6     0.01  -0.05  -0.01    -0.03   0.10  -0.04     0.09   0.01  -0.04
     8   8    -0.01   0.01   0.00    -0.08  -0.14   0.00     0.04   0.05  -0.02
     9  29     0.01   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    10   8    -0.04  -0.05  -0.01     0.02  -0.07  -0.01    -0.11  -0.18  -0.04
    11   6    -0.03  -0.02  -0.02     0.01  -0.02   0.03    -0.09  -0.05   0.05
    12   6     0.01   0.01   0.01     0.00   0.00  -0.00    -0.01   0.00   0.00
    13   9     0.04  -0.01  -0.02    -0.02   0.03   0.02     0.05   0.04  -0.02
    14   6     0.01  -0.05  -0.03     0.02   0.04   0.05    -0.01  -0.00  -0.01
    15   6    -0.02   0.01   0.13     0.02  -0.04   0.05     0.10   0.05  -0.01
    16   6     0.11   0.08   0.07     0.05  -0.02  -0.06    -0.05  -0.01  -0.12
    17   8    -0.01   0.01  -0.00     0.08   0.14   0.00    -0.04  -0.05  -0.02
    18   6    -0.01  -0.02   0.02     0.04   0.03  -0.02    -0.03   0.00   0.07
    19   6     0.00  -0.05   0.00     0.06  -0.06  -0.09    -0.06  -0.00   0.02
    20   6     0.01  -0.05   0.00     0.04  -0.10  -0.04    -0.09  -0.01  -0.04
    21   6    -0.02  -0.03   0.06     0.00  -0.06   0.05     0.01   0.02  -0.01
    22   6    -0.04  -0.01   0.07    -0.00   0.01   0.07     0.07   0.05   0.12
    23   6    -0.02   0.01   0.05    -0.02   0.02   0.03    -0.04  -0.06   0.04
    24   6    -0.02   0.00   0.00    -0.03  -0.01  -0.07    -0.01  -0.04   0.02
    25   6     0.11   0.08  -0.07    -0.05   0.02  -0.06     0.06   0.01  -0.12
    26   6    -0.02   0.01  -0.13    -0.02   0.04   0.05    -0.11  -0.06  -0.01
    27   6     0.01  -0.05   0.03    -0.02  -0.04   0.05     0.01   0.00  -0.01
    28   6    -0.03  -0.02   0.02    -0.01   0.02   0.03     0.10   0.05   0.05
    29   6     0.01   0.01  -0.01    -0.00  -0.00  -0.00     0.01  -0.00   0.00
    30   9     0.04  -0.01   0.01     0.02  -0.03   0.02    -0.06  -0.04  -0.02
    31   8    -0.04  -0.05   0.01    -0.02   0.07  -0.01     0.11   0.19  -0.05
    32   9     0.03   0.01  -0.03     0.02   0.00  -0.02    -0.03   0.03   0.04
    33   9    -0.03   0.05  -0.01     0.01  -0.02  -0.02     0.05  -0.05  -0.03
    34   9    -0.03   0.05   0.01    -0.01   0.02  -0.02    -0.05   0.05  -0.03
    35   9     0.03   0.01   0.03    -0.02  -0.00  -0.02     0.02  -0.03   0.04
    36   1    -0.02   0.00  -0.02    -0.08   0.02  -0.02     0.04  -0.08  -0.00
    37   1    -0.03   0.04  -0.01    -0.11  -0.01  -0.15     0.02   0.00   0.04
    38   1    -0.02   0.03   0.04    -0.02   0.04   0.06    -0.06  -0.10   0.21
    39   1    -0.02   0.04   0.07    -0.04   0.06   0.04    -0.20  -0.10  -0.06
    40   1    -0.04  -0.06   0.12    -0.03  -0.10   0.13    -0.01   0.01  -0.05
    41   1     0.08   0.15  -0.24    -0.10   0.13  -0.03     0.07  -0.01  -0.29
    42   1     0.25   0.16   0.05    -0.02   0.10   0.04     0.16   0.03  -0.09
    43   1     0.12   0.10  -0.08    -0.15   0.01  -0.20     0.15   0.04  -0.03
    44   1     0.06   0.14  -0.21    -0.16   0.10   0.08    -0.12  -0.08   0.00
    45   1    -0.02   0.02  -0.14     0.14   0.16   0.10    -0.13  -0.10   0.03
    46   1    -0.15  -0.06  -0.22    -0.10   0.06   0.06    -0.03  -0.07  -0.02
    47   1     0.02  -0.06   0.05    -0.02  -0.19   0.17     0.01   0.07  -0.07
    48   1     0.02  -0.05   0.06    -0.07   0.04   0.09     0.04  -0.05  -0.00
    49   1     0.01  -0.01   0.03    -0.08   0.08   0.07     0.05  -0.02  -0.03
    50   1     0.25   0.16  -0.05     0.02  -0.10   0.04    -0.15  -0.03  -0.08
    51   1     0.08   0.15   0.24     0.10  -0.13  -0.03    -0.06   0.01  -0.29
    52   1     0.12   0.10   0.08     0.15  -0.01  -0.20    -0.14  -0.04  -0.04
    53   1    -0.16  -0.06   0.23     0.10  -0.06   0.06     0.03   0.06  -0.02
    54   1    -0.02   0.02   0.14    -0.14  -0.16   0.10     0.13   0.09   0.03
    55   1     0.06   0.14   0.21     0.16  -0.10   0.08     0.12   0.07   0.00
    56   1    -0.02   0.03  -0.04     0.02  -0.04   0.06     0.06   0.10   0.21
    57   1    -0.02   0.04  -0.07     0.04  -0.06   0.04     0.19   0.10  -0.06
    58   1    -0.03   0.04   0.01     0.11   0.01  -0.15    -0.02  -0.00   0.04
    59   1    -0.02   0.00   0.02     0.08  -0.02  -0.02    -0.03   0.08  -0.00
    60   1    -0.04  -0.06  -0.12     0.03   0.10   0.13     0.01  -0.01  -0.05
    61   1     0.02  -0.05  -0.06     0.07  -0.04   0.10    -0.04   0.05  -0.00
    62   1     0.02  -0.06  -0.05     0.02   0.19   0.17    -0.01  -0.06  -0.06
    63   1     0.01  -0.01  -0.03     0.08  -0.08   0.07    -0.05   0.02  -0.03
                     46                     47                     48
                      A                      A                      A
 Frequencies --    446.9716               455.5004               490.5665
 Red. masses --      3.7092                 5.3193                 6.3987
 Frc consts  --      0.4366                 0.6503                 0.9073
 IR Inten    --     25.5678                 5.1787                 0.0007
 RamAct Fr= 1--      0.9986                 1.1288                 9.9676
  Dep-P Fr= 1--      0.7480                 0.7500                 0.0869
  Dep-U Fr= 1--      0.8558                 0.8571                 0.1599
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.1802
 Beta2  Fr= 1--      0.1424                 0.1613                 0.2657
 AlphaG Fr= 1--     -0.0001                -0.0000                -0.0261
 Gamma2 Fr= 1--     -7.4338                 6.9260                -0.8277
 Delta2 Fr= 1--     -2.7999                -1.2432                -0.2350
 Raman1 Fr= 1--       3.994                  4.515                 39.870
 ROA1   Fr= 1--    -803.242                625.113                -86.983
 CID1   Fr= 1--    -201.101                138.442                 -2.182
 Raman2 Fr= 1--       1.709                  1.935                  3.188
 ROA2   Fr= 1--    -156.012                176.169                -17.985
 CID2   Fr= 1--     -91.280                 91.037                 -5.641
 Raman3 Fr= 1--       3.418                  3.870                  6.376
 ROA3   Fr= 1--    -803.242                625.113                -86.983
 CID3   Fr= 1--    -234.982                161.516                -13.642
 RC180  Fr= 1--       0.712                  0.714                 -0.680
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02   0.04   0.01    -0.05  -0.07  -0.04    -0.04  -0.09   0.01
     2   6    -0.00  -0.04  -0.03     0.01  -0.03  -0.02     0.02   0.01   0.03
     3   6    -0.05  -0.01   0.04     0.03   0.08  -0.17    -0.00   0.05  -0.18
     4   6     0.03   0.03   0.06     0.03   0.07  -0.03     0.03   0.03  -0.03
     5   6     0.08  -0.03   0.07     0.05  -0.01   0.08     0.04   0.05   0.08
     6   6    -0.01   0.01   0.05    -0.03  -0.07   0.03    -0.02  -0.06   0.02
     7   6     0.10  -0.05  -0.01     0.01  -0.06   0.07     0.06   0.05   0.05
     8   8     0.06   0.12  -0.01     0.04   0.11   0.01     0.01  -0.04  -0.00
     9  29    -0.04  -0.03   0.00    -0.03  -0.07   0.00     0.00   0.00   0.00
    10   8    -0.07  -0.10  -0.02     0.07   0.10   0.04     0.02  -0.21   0.02
    11   6    -0.06  -0.02   0.01     0.06   0.07  -0.08     0.02  -0.01  -0.13
    12   6    -0.00   0.00   0.00     0.01   0.01  -0.01     0.03   0.02  -0.04
    13   9     0.03   0.01  -0.02    -0.06  -0.07   0.01    -0.10  -0.06  -0.00
    14   6    -0.02  -0.02  -0.03    -0.03   0.00  -0.00    -0.03   0.09   0.05
    15   6     0.09   0.07  -0.02    -0.02   0.02  -0.02     0.11   0.06   0.00
    16   6    -0.07   0.00  -0.06    -0.02   0.01   0.11    -0.03  -0.01   0.01
    17   8     0.05   0.12   0.01     0.04   0.11  -0.01    -0.01   0.04  -0.00
    18   6     0.03   0.03  -0.06     0.03   0.07   0.03    -0.03  -0.03  -0.03
    19   6     0.08  -0.03  -0.06     0.05  -0.01  -0.08    -0.04  -0.05   0.08
    20   6     0.10  -0.05   0.01     0.01  -0.06  -0.07    -0.06  -0.05   0.05
    21   6    -0.00  -0.04   0.03     0.01  -0.03   0.02    -0.02  -0.01   0.03
    22   6    -0.05  -0.01  -0.04     0.03   0.08   0.17     0.00  -0.05  -0.18
    23   6     0.02   0.04  -0.01    -0.05  -0.07   0.04     0.04   0.09   0.01
    24   6    -0.01   0.01  -0.05    -0.03  -0.07  -0.03     0.02   0.06   0.02
    25   6    -0.07   0.00   0.06    -0.02   0.01  -0.11     0.03   0.01   0.01
    26   6     0.09   0.07   0.02    -0.03   0.02   0.02    -0.11  -0.06   0.00
    27   6    -0.02  -0.02   0.03    -0.03   0.00   0.00     0.03  -0.09   0.05
    28   6    -0.06  -0.02  -0.01     0.06   0.07   0.08    -0.02   0.01  -0.13
    29   6    -0.00   0.00  -0.00     0.01   0.01   0.01    -0.03  -0.02  -0.04
    30   9     0.03   0.01   0.02    -0.06  -0.07  -0.01     0.10   0.06  -0.00
    31   8    -0.07  -0.09   0.02     0.07   0.10  -0.04    -0.02   0.21   0.02
    32   9     0.02  -0.02  -0.02    -0.01   0.03   0.04    -0.03  -0.07  -0.06
    33   9    -0.02   0.02   0.01     0.05  -0.05  -0.06     0.01  -0.02   0.12
    34   9    -0.02   0.02  -0.01     0.05  -0.05   0.06    -0.01   0.02   0.12
    35   9     0.02  -0.02   0.02    -0.01   0.03  -0.04     0.03   0.07  -0.06
    36   1    -0.06   0.05   0.00    -0.04  -0.07   0.08    -0.00   0.09  -0.09
    37   1    -0.07  -0.02  -0.11    -0.11  -0.07  -0.11     0.07   0.09   0.07
    38   1     0.03   0.07  -0.10    -0.07  -0.08   0.21     0.06   0.11  -0.15
    39   1     0.10   0.08   0.06    -0.19  -0.08  -0.03     0.18   0.12   0.09
    40   1    -0.02  -0.07   0.10    -0.07  -0.08   0.04     0.04   0.01   0.08
    41   1    -0.11   0.08   0.23    -0.05   0.08  -0.11     0.04  -0.00  -0.14
    42   1    -0.14   0.03   0.09     0.01   0.06  -0.04     0.10   0.05   0.08
    43   1    -0.21  -0.03  -0.09    -0.08   0.00  -0.19     0.10   0.06   0.04
    44   1     0.02   0.12   0.03    -0.17   0.05   0.07    -0.05  -0.04  -0.03
    45   1     0.19   0.16   0.03     0.10   0.10   0.09    -0.14  -0.06  -0.03
    46   1    -0.02   0.08   0.04    -0.04   0.04   0.04    -0.15  -0.07  -0.01
    47   1    -0.03  -0.17   0.14    -0.05  -0.12   0.08     0.03  -0.03   0.00
    48   1    -0.09   0.07   0.03    -0.09   0.09   0.00     0.07  -0.15   0.06
    49   1    -0.10   0.04   0.06    -0.09   0.04   0.02     0.07  -0.10   0.03
    50   1    -0.15   0.02  -0.09     0.01   0.06   0.04    -0.10  -0.05   0.08
    51   1    -0.11   0.08  -0.23    -0.05   0.08   0.11    -0.04   0.00  -0.14
    52   1    -0.21  -0.04   0.09    -0.08   0.00   0.19    -0.10  -0.06   0.04
    53   1    -0.01   0.08  -0.04    -0.04   0.04  -0.04     0.15   0.07  -0.01
    54   1     0.20   0.17  -0.03     0.10   0.10  -0.09     0.14   0.06  -0.03
    55   1     0.02   0.12  -0.03    -0.17   0.05  -0.07     0.05   0.04  -0.03
    56   1     0.03   0.07   0.10    -0.07  -0.08  -0.21    -0.06  -0.11  -0.15
    57   1     0.10   0.08  -0.06    -0.19  -0.07   0.03    -0.18  -0.12   0.09
    58   1    -0.07  -0.02   0.11    -0.11  -0.07   0.11    -0.07  -0.09   0.07
    59   1    -0.06   0.05  -0.00    -0.04  -0.07  -0.08     0.00  -0.09  -0.09
    60   1    -0.02  -0.07  -0.10    -0.07  -0.08  -0.04    -0.04  -0.01   0.08
    61   1    -0.09   0.07  -0.03    -0.09   0.09  -0.00    -0.07   0.15   0.06
    62   1    -0.03  -0.17  -0.14    -0.05  -0.12  -0.08    -0.03   0.03   0.00
    63   1    -0.10   0.04  -0.06    -0.09   0.04  -0.02    -0.07   0.10   0.03
                     49                     50                     51
                      A                      A                      A
 Frequencies --    501.3433               502.8407               518.0185
 Red. masses --      7.0615                10.7200                15.8081
 Frc consts  --      1.0457                 1.5970                 2.4993
 IR Inten    --      7.2304                 0.0293                 8.9198
 RamAct Fr= 1--      0.9725                 2.5447                 0.1497
  Dep-P Fr= 1--      0.7500                 0.7165                 0.7127
  Dep-U Fr= 1--      0.8571                 0.8348                 0.8322
 Alpha2 Fr= 1--      0.0000                 0.0015                 0.0001
 Beta2  Fr= 1--      0.1389                 0.3541                 0.0208
 AlphaG Fr= 1--     -0.0000                 0.0010                 0.0002
 Gamma2 Fr= 1--     -4.5733                 3.6819                -3.8600
 Delta2 Fr= 1--     -2.9316                 1.7986                -0.1516
 Raman1 Fr= 1--       3.890                 10.179                  0.599
 ROA1   Fr= 1--    -532.846                411.013               -375.413
 CID1   Fr= 1--    -136.983                 40.379               -627.005
 Raman2 Fr= 1--       1.667                  4.249                  0.249
 ROA2   Fr= 1--     -86.306                 73.976                -91.427
 CID2   Fr= 1--     -51.771                 17.411               -366.964
 Raman3 Fr= 1--       3.334                  8.498                  0.498
 ROA3   Fr= 1--    -532.846                411.013               -375.413
 CID3   Fr= 1--    -159.815                 48.367               -753.403
 RC180  Fr= 1--       0.714                  0.670                  0.664
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.04   0.08  -0.04     0.04   0.04  -0.03    -0.01   0.01  -0.01
     2   6    -0.01  -0.02  -0.05    -0.01  -0.02  -0.05     0.00  -0.01  -0.00
     3   6     0.01   0.01   0.15    -0.00   0.05   0.10     0.01  -0.02  -0.02
     4   6    -0.02   0.02   0.03    -0.07   0.02   0.04     0.06   0.03  -0.03
     5   6     0.00  -0.06  -0.05    -0.00  -0.08  -0.00     0.04   0.04  -0.01
     6   6     0.01   0.04  -0.02     0.01   0.00   0.02     0.00   0.02  -0.04
     7   6    -0.04  -0.10  -0.02     0.02  -0.09  -0.02    -0.02  -0.02   0.03
     8   8    -0.00   0.12   0.01    -0.06   0.12   0.00     0.06  -0.00   0.01
     9  29    -0.02  -0.04  -0.00    -0.00  -0.00   0.00     0.05  -0.12   0.00
    10   8     0.07   0.09  -0.05     0.17  -0.16  -0.05    -0.13   0.33   0.03
    11   6     0.06   0.01   0.15     0.15  -0.03   0.09    -0.12   0.06   0.05
    12   6     0.03   0.01   0.07     0.11   0.03   0.05    -0.16  -0.05   0.03
    13   9     0.02   0.02   0.12    -0.12  -0.03   0.21     0.23   0.09  -0.17
    14   6     0.02  -0.11  -0.05     0.01  -0.11  -0.05    -0.01   0.04   0.02
    15   6    -0.12  -0.05  -0.02    -0.03  -0.01  -0.01    -0.04  -0.01  -0.01
    16   6     0.01   0.01   0.04    -0.01   0.01  -0.01    -0.00  -0.01   0.06
    17   8    -0.00   0.12  -0.01     0.06  -0.12   0.00     0.05  -0.00  -0.01
    18   6    -0.02   0.02  -0.03     0.07  -0.02   0.04     0.05   0.03   0.02
    19   6     0.00  -0.07   0.05     0.00   0.08  -0.00     0.04   0.04   0.01
    20   6    -0.04  -0.10   0.02    -0.02   0.08  -0.02    -0.02  -0.02  -0.02
    21   6    -0.01  -0.02   0.06     0.01   0.02  -0.05     0.00  -0.02   0.01
    22   6     0.01   0.01  -0.15     0.00  -0.05   0.09     0.01  -0.02   0.01
    23   6     0.04   0.08   0.04    -0.04  -0.04  -0.03    -0.00   0.01   0.01
    24   6     0.01   0.04   0.02    -0.01  -0.00   0.02     0.00   0.02   0.03
    25   6     0.01   0.01  -0.04     0.01  -0.01  -0.01     0.00  -0.01  -0.05
    26   6    -0.12  -0.05   0.02     0.02   0.01  -0.01    -0.04  -0.01   0.01
    27   6     0.02  -0.11   0.05    -0.01   0.11  -0.05    -0.01   0.04  -0.01
    28   6     0.06   0.01  -0.15    -0.15   0.03   0.08    -0.12   0.07  -0.05
    29   6     0.03   0.01  -0.07    -0.11  -0.03   0.05    -0.16  -0.05  -0.02
    30   9     0.02   0.02  -0.12     0.12   0.03   0.20     0.22   0.09   0.17
    31   8     0.07   0.09   0.05    -0.17   0.16  -0.05    -0.13   0.34  -0.03
    32   9    -0.12  -0.07   0.06     0.14   0.01  -0.20     0.03  -0.06  -0.28
    33   9     0.08   0.04   0.12    -0.12  -0.11  -0.03    -0.10  -0.16   0.15
    34   9     0.08   0.04  -0.12     0.12   0.11  -0.03    -0.10  -0.15  -0.15
    35   9    -0.12  -0.07  -0.06    -0.14  -0.01  -0.21     0.02  -0.07   0.28
    36   1    -0.02   0.09  -0.04     0.01  -0.03   0.12    -0.02   0.03   0.12
    37   1     0.02   0.05   0.02    -0.03  -0.04   0.02    -0.05  -0.04  -0.00
    38   1     0.06   0.10  -0.09    -0.04  -0.06   0.04    -0.00   0.00   0.00
    39   1     0.15   0.11   0.11    -0.10  -0.08  -0.09     0.00   0.00   0.01
    40   1    -0.00  -0.04   0.14     0.05   0.06  -0.12     0.02  -0.01   0.02
    41   1     0.00   0.03  -0.19     0.03  -0.07   0.02     0.00  -0.01  -0.09
    42   1     0.09   0.09   0.08    -0.02  -0.08  -0.11     0.02   0.00  -0.03
    43   1     0.04   0.06  -0.07     0.05  -0.03   0.09     0.02   0.00  -0.03
    44   1    -0.13  -0.02   0.01     0.03  -0.04   0.01    -0.08  -0.02   0.03
    45   1    -0.07  -0.00   0.01    -0.03  -0.04  -0.00    -0.00   0.01   0.02
    46   1    -0.19  -0.05   0.02     0.10   0.02   0.01    -0.04   0.00   0.03
    47   1     0.01  -0.13   0.05    -0.01   0.15  -0.09    -0.03   0.01  -0.02
    48   1     0.01  -0.10   0.06    -0.00   0.10  -0.08    -0.04   0.07  -0.04
    49   1     0.02  -0.12   0.05     0.01   0.07  -0.05    -0.02  -0.00  -0.01
    50   1     0.09   0.09  -0.08     0.02   0.09  -0.11     0.02  -0.00   0.05
    51   1     0.00   0.03   0.19    -0.03   0.07   0.02     0.00  -0.02   0.11
    52   1     0.04   0.06   0.07    -0.05   0.03   0.09     0.03   0.00   0.04
    53   1    -0.19  -0.05  -0.02    -0.11  -0.02   0.01    -0.04   0.01  -0.03
    54   1    -0.07  -0.00  -0.01     0.03   0.04  -0.00    -0.01   0.01  -0.02
    55   1    -0.13  -0.02  -0.01    -0.04   0.04   0.01    -0.09  -0.02  -0.03
    56   1     0.05   0.10   0.09     0.04   0.06   0.04    -0.01   0.00  -0.01
    57   1     0.15   0.11  -0.11     0.10   0.08  -0.09    -0.00   0.00  -0.01
    58   1     0.02   0.05  -0.02     0.03   0.04   0.02    -0.06  -0.04  -0.00
    59   1    -0.02   0.09   0.04    -0.01   0.03   0.12    -0.02   0.03  -0.14
    60   1    -0.00  -0.03  -0.14    -0.05  -0.06  -0.12     0.02  -0.00  -0.02
    61   1     0.01  -0.10  -0.06     0.00  -0.10  -0.08    -0.04   0.08   0.04
    62   1     0.01  -0.13  -0.05     0.01  -0.16  -0.09    -0.03   0.02   0.02
    63   1     0.02  -0.12  -0.05    -0.01  -0.07  -0.06    -0.02  -0.01   0.01
                     52                     53                     54
                      A                      A                      A
 Frequencies --    518.5098               524.1124               533.2607
 Red. masses --      5.2589                 6.0417                 7.3607
 Frc consts  --      0.8330                 0.9778                 1.2332
 IR Inten    --      1.0439                17.4483                 3.5004
 RamAct Fr= 1--      9.8246                 0.2315                 0.7639
  Dep-P Fr= 1--      0.0625                 0.7499                 0.1356
  Dep-U Fr= 1--      0.1177                 0.8571                 0.2389
 Alpha2 Fr= 1--      0.1884                 0.0000                 0.0122
 Beta2  Fr= 1--      0.1927                 0.0331                 0.0304
 AlphaG Fr= 1--      0.3029                 0.0000                -0.0555
 Gamma2 Fr= 1--      1.1211                 0.4809                 0.1320
 Delta2 Fr= 1--      0.5089                 0.3470                 0.6146
 Raman1 Fr= 1--      39.298                  0.926                  3.056
 ROA1   Fr= 1--     123.909                 57.274                 32.337
 CID1   Fr= 1--       3.153                 61.851                 10.583
 Raman2 Fr= 1--       2.312                  0.397                  0.365
 ROA2   Fr= 1--      22.835                  8.767                 -1.750
 CID2   Fr= 1--       9.877                 22.094                 -4.795
 Raman3 Fr= 1--       4.624                  0.794                  0.730
 ROA3   Fr= 1--     123.909                 57.274                 32.337
 CID3   Fr= 1--      26.796                 72.166                 44.308
 RC180  Fr= 1--      -0.765                  0.714                 -0.522
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01  -0.03     0.03   0.01   0.02     0.02   0.08  -0.03
     2   6     0.03   0.02   0.02    -0.03  -0.03  -0.03     0.02   0.03   0.01
     3   6     0.03  -0.02  -0.06    -0.02   0.02   0.12     0.02  -0.06   0.18
     4   6     0.11   0.02  -0.08    -0.10  -0.01   0.10     0.07  -0.01   0.04
     5   6     0.07   0.07  -0.03    -0.06  -0.07   0.01     0.03   0.01  -0.10
     6   6    -0.00   0.03  -0.09     0.01  -0.01   0.07     0.03   0.08  -0.10
     7   6    -0.05   0.01   0.08     0.02  -0.03  -0.09    -0.08  -0.00   0.02
     8   8     0.12   0.00   0.03    -0.10   0.03  -0.03     0.10   0.08   0.02
     9  29    -0.00   0.00   0.00     0.04  -0.03  -0.00    -0.00  -0.00  -0.01
    10   8    -0.03  -0.11  -0.04     0.03   0.17   0.04     0.00  -0.08   0.01
    11   6    -0.02  -0.03   0.05     0.02   0.05  -0.03     0.01  -0.03  -0.03
    12   6    -0.00  -0.01   0.06     0.00   0.01  -0.07     0.01   0.01  -0.10
    13   9     0.07   0.03   0.07    -0.08  -0.03  -0.08    -0.12  -0.01  -0.08
    14   6    -0.01   0.05   0.02     0.01  -0.07  -0.03     0.02  -0.06  -0.03
    15   6    -0.07  -0.03  -0.03     0.01   0.00   0.02    -0.14  -0.06  -0.03
    16   6    -0.02  -0.03   0.15     0.02   0.03  -0.14    -0.01  -0.02   0.08
    17   8    -0.12  -0.00   0.03    -0.10   0.03   0.03    -0.10  -0.08   0.02
    18   6    -0.11  -0.02  -0.08    -0.09  -0.01  -0.10    -0.07   0.01   0.04
    19   6    -0.07  -0.07  -0.03    -0.06  -0.07  -0.01    -0.03  -0.01  -0.10
    20   6     0.05  -0.01   0.08     0.02  -0.03   0.09     0.08   0.00   0.02
    21   6    -0.03  -0.02   0.02    -0.03  -0.03   0.03    -0.02  -0.03   0.01
    22   6    -0.03   0.02  -0.06    -0.02   0.02  -0.12    -0.02   0.06   0.18
    23   6     0.02  -0.01  -0.03     0.03   0.01  -0.02    -0.02  -0.08  -0.03
    24   6     0.00  -0.03  -0.09     0.01  -0.01  -0.07    -0.03  -0.08  -0.10
    25   6     0.02   0.03   0.15     0.02   0.03   0.14     0.01   0.02   0.08
    26   6     0.07   0.03  -0.03     0.01   0.00  -0.02     0.14   0.06  -0.03
    27   6     0.01  -0.05   0.02     0.01  -0.07   0.03    -0.02   0.06  -0.03
    28   6     0.02   0.03   0.05     0.02   0.05   0.03    -0.01   0.03  -0.03
    29   6     0.01   0.01   0.06     0.00   0.01   0.07    -0.01  -0.01  -0.10
    30   9    -0.07  -0.03   0.06    -0.08  -0.03   0.08     0.12   0.01  -0.08
    31   8     0.04   0.10  -0.04     0.03   0.17  -0.04    -0.00   0.08   0.01
    32   9     0.09   0.04   0.02     0.10   0.03   0.01    -0.14  -0.07  -0.04
    33   9    -0.01  -0.03  -0.12    -0.00  -0.05  -0.12     0.04   0.02   0.16
    34   9     0.01   0.03  -0.11    -0.00  -0.05   0.12    -0.04  -0.02   0.16
    35   9    -0.09  -0.04   0.01     0.10   0.03  -0.01     0.14   0.07  -0.04
    36   1     0.04  -0.05  -0.28     0.04  -0.02  -0.27     0.01  -0.11  -0.13
    37   1     0.11   0.08  -0.01     0.11   0.09   0.01     0.00  -0.03  -0.08
    38   1     0.03   0.01  -0.14     0.05   0.04  -0.16    -0.02  -0.06   0.00
    39   1     0.10   0.04   0.04     0.14   0.06   0.07    -0.05  -0.05  -0.02
    40   1    -0.07  -0.05   0.01    -0.06  -0.05   0.04    -0.12  -0.09  -0.01
    41   1    -0.00   0.08   0.21     0.01   0.07   0.12    -0.03   0.09   0.22
    42   1    -0.01   0.05   0.18     0.03   0.07   0.19    -0.05   0.03   0.09
    43   1    -0.05   0.02   0.08    -0.01   0.04   0.07    -0.10  -0.02  -0.02
    44   1     0.20   0.09  -0.10     0.13   0.07  -0.10     0.18   0.10  -0.06
    45   1     0.02   0.01  -0.08    -0.03  -0.01  -0.07     0.14   0.07  -0.05
    46   1    -0.03  -0.02  -0.09    -0.10  -0.05  -0.08     0.07   0.04  -0.06
    47   1     0.04  -0.05   0.06     0.03  -0.06   0.05     0.01   0.02   0.04
    48   1     0.05  -0.11   0.08     0.04  -0.12   0.08    -0.01   0.05   0.02
    49   1     0.01   0.04   0.02     0.01   0.00   0.03    -0.04   0.16  -0.02
    50   1     0.01  -0.05   0.18     0.03   0.07  -0.19     0.05  -0.03   0.09
    51   1     0.00  -0.08   0.21     0.01   0.07  -0.12     0.03  -0.09   0.23
    52   1     0.05  -0.02   0.08    -0.01   0.04  -0.07     0.10   0.02  -0.02
    53   1     0.03   0.02  -0.09    -0.10  -0.05   0.08    -0.07  -0.04  -0.06
    54   1    -0.02  -0.01  -0.08    -0.03  -0.01   0.07    -0.14  -0.07  -0.05
    55   1    -0.20  -0.09  -0.10     0.13   0.07   0.10    -0.18  -0.10  -0.06
    56   1    -0.03  -0.01  -0.14     0.05   0.04   0.16     0.02   0.06   0.00
    57   1    -0.10  -0.04   0.04     0.14   0.06  -0.07     0.05   0.06  -0.02
    58   1    -0.11  -0.08  -0.01     0.11   0.09  -0.01    -0.00   0.03  -0.09
    59   1    -0.04   0.05  -0.28     0.04  -0.02   0.27    -0.01   0.11  -0.14
    60   1     0.07   0.05   0.01    -0.06  -0.05  -0.04     0.12   0.09  -0.01
    61   1    -0.04   0.11   0.07     0.04  -0.12  -0.08     0.01  -0.05   0.02
    62   1    -0.04   0.05   0.06     0.03  -0.06  -0.05    -0.01  -0.02   0.04
    63   1    -0.01  -0.04   0.02     0.01   0.00  -0.03     0.04  -0.16  -0.02
                     55                     56                     57
                      A                      A                      A
 Frequencies --    535.2729               567.1751               570.8230
 Red. masses --      6.3113                 4.3770                 4.0841
 Frc consts  --      1.0654                 0.8296                 0.7841
 IR Inten    --     26.3122                 0.5573                27.6033
 RamAct Fr= 1--      0.2262                 1.3509                 0.4836
  Dep-P Fr= 1--      0.7500                 0.5609                 0.7498
  Dep-U Fr= 1--      0.8571                 0.7187                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0049                 0.0000
 Beta2  Fr= 1--      0.0323                 0.1618                 0.0691
 AlphaG Fr= 1--      0.0000                 0.0076                -0.0000
 Gamma2 Fr= 1--      0.8186                 0.5618                -1.7522
 Delta2 Fr= 1--     -0.1740                 0.3676                -1.3056
 Raman1 Fr= 1--       0.905                  5.404                  1.935
 ROA1   Fr= 1--      73.021                 65.694               -209.993
 CID1   Fr= 1--      80.705                 12.158               -108.550
 Raman2 Fr= 1--       0.388                  1.942                  0.829
 ROA2   Fr= 1--      21.040                 10.542                -31.609
 CID2   Fr= 1--      54.259                  5.429                -38.131
 Raman3 Fr= 1--       0.776                  3.883                  1.658
 ROA3   Fr= 1--      73.021                 65.694               -209.993
 CID3   Fr= 1--      94.157                 16.917               -126.660
 RC180  Fr= 1--       0.714                  0.437                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.08   0.03     0.02  -0.04  -0.01     0.02  -0.04  -0.02
     2   6    -0.02  -0.03  -0.01    -0.05  -0.09  -0.07    -0.04  -0.09  -0.07
     3   6    -0.02   0.05  -0.15    -0.01   0.00   0.05    -0.01  -0.00   0.05
     4   6    -0.08  -0.00  -0.02     0.07   0.03   0.06     0.07   0.02   0.06
     5   6    -0.06  -0.02   0.09     0.04   0.08   0.05     0.05   0.09   0.05
     6   6    -0.03  -0.08   0.12     0.02  -0.01   0.00     0.02  -0.01  -0.01
     7   6     0.08   0.01  -0.04    -0.02  -0.08  -0.06    -0.02  -0.08  -0.06
     8   8    -0.11  -0.08  -0.02     0.05  -0.11  -0.03     0.06  -0.10  -0.03
     9  29     0.04   0.01  -0.00     0.00   0.00   0.00     0.00   0.01  -0.00
    10   8     0.01   0.07  -0.01    -0.05   0.04  -0.00    -0.04   0.01  -0.00
    11   6     0.01   0.02   0.01    -0.04   0.05   0.02    -0.03   0.03   0.02
    12   6     0.01  -0.00   0.08     0.03   0.04   0.00     0.02   0.03  -0.00
    13   9     0.07  -0.01   0.09    -0.03  -0.05   0.02    -0.02  -0.03   0.01
    14   6    -0.01   0.04   0.02    -0.04   0.16   0.06    -0.04   0.17   0.07
    15   6     0.13   0.05   0.03    -0.10  -0.03  -0.00    -0.10  -0.04  -0.00
    16   6     0.01   0.03  -0.12     0.02   0.02  -0.06     0.02   0.02  -0.05
    17   8    -0.11  -0.08   0.02    -0.05   0.11  -0.03     0.06  -0.10   0.03
    18   6    -0.08  -0.00   0.02    -0.07  -0.03   0.06     0.07   0.02  -0.06
    19   6    -0.06  -0.02  -0.09    -0.04  -0.08   0.05     0.05   0.09  -0.05
    20   6     0.08   0.01   0.04     0.01   0.08  -0.06    -0.02  -0.08   0.06
    21   6    -0.02  -0.03   0.01     0.05   0.09  -0.07    -0.04  -0.09   0.07
    22   6    -0.02   0.05   0.15     0.01  -0.00   0.05    -0.01  -0.00  -0.05
    23   6    -0.01  -0.08  -0.03    -0.02   0.04  -0.01     0.02  -0.04   0.02
    24   6    -0.03  -0.08  -0.12    -0.02   0.01   0.00     0.02  -0.01   0.01
    25   6     0.01   0.03   0.12    -0.02  -0.02  -0.06     0.02   0.02   0.05
    26   6     0.13   0.05  -0.03     0.10   0.03   0.00    -0.10  -0.04   0.00
    27   6    -0.02   0.05  -0.02     0.04  -0.16   0.06    -0.04   0.17  -0.07
    28   6     0.01   0.02  -0.01     0.04  -0.05   0.02    -0.03   0.03  -0.02
    29   6     0.01  -0.00  -0.08    -0.03  -0.04   0.00     0.02   0.03   0.00
    30   9     0.07  -0.01  -0.09     0.03   0.05   0.02    -0.02  -0.03  -0.01
    31   8     0.01   0.07   0.01     0.05  -0.04  -0.00    -0.04   0.01   0.00
    32   9    -0.11  -0.05   0.00    -0.00   0.03  -0.05     0.01  -0.02   0.03
    33   9     0.06   0.03   0.12    -0.07  -0.03   0.03     0.05   0.02  -0.02
    34   9     0.06   0.03  -0.11     0.07   0.03   0.03     0.04   0.02   0.02
    35   9    -0.11  -0.05  -0.00     0.00  -0.03  -0.05     0.01  -0.02  -0.03
    36   1     0.02  -0.11  -0.20    -0.02   0.02  -0.10     0.02  -0.02   0.12
    37   1     0.04  -0.00  -0.07     0.02   0.06   0.03    -0.02  -0.07  -0.02
    38   1    -0.01  -0.05  -0.03    -0.04   0.03   0.14     0.04  -0.03  -0.12
    39   1    -0.02  -0.05  -0.01    -0.13  -0.03  -0.10     0.12   0.02   0.10
    40   1    -0.12  -0.09  -0.02     0.07   0.10  -0.08    -0.05  -0.09   0.08
    41   1    -0.02   0.09   0.24    -0.01  -0.07   0.05     0.01   0.06  -0.06
    42   1    -0.04   0.04   0.12    -0.09  -0.11  -0.17     0.09   0.10   0.17
    43   1    -0.09  -0.00   0.02    -0.03  -0.06   0.01     0.03   0.06  -0.01
    44   1     0.21   0.11  -0.08     0.07  -0.05   0.04    -0.09   0.05  -0.04
    45   1     0.10   0.05  -0.07     0.04  -0.04   0.04    -0.04   0.04  -0.03
    46   1     0.05   0.02  -0.08     0.26   0.05   0.02    -0.26  -0.05  -0.02
    47   1     0.02   0.02   0.04     0.06  -0.07   0.01    -0.06   0.08  -0.01
    48   1     0.01   0.01   0.04     0.11  -0.25   0.09    -0.11   0.27  -0.10
    49   1    -0.03   0.17  -0.02     0.10  -0.16   0.04    -0.10   0.17  -0.05
    50   1    -0.03   0.04  -0.12     0.09   0.11  -0.17     0.09   0.10  -0.17
    51   1    -0.02   0.09  -0.24     0.01   0.07   0.05     0.01   0.06   0.06
    52   1    -0.09  -0.00  -0.02     0.03   0.06   0.01     0.03   0.06   0.01
    53   1     0.05   0.02   0.08    -0.26  -0.05   0.02    -0.26  -0.05   0.02
    54   1     0.10   0.05   0.06    -0.04   0.04   0.04    -0.04   0.04   0.03
    55   1     0.21   0.11   0.08    -0.07   0.05   0.04    -0.09   0.05   0.04
    56   1    -0.01  -0.05   0.03     0.04  -0.03   0.14     0.04  -0.03   0.12
    57   1    -0.02  -0.04   0.01     0.13   0.03  -0.10     0.12   0.02  -0.10
    58   1     0.04  -0.00   0.07    -0.02  -0.06   0.03    -0.02  -0.07   0.02
    59   1     0.02  -0.11   0.20     0.02  -0.02  -0.10     0.02  -0.02  -0.12
    60   1    -0.12  -0.09   0.02    -0.07  -0.10  -0.08    -0.05  -0.09  -0.08
    61   1     0.01   0.01  -0.04    -0.11   0.25   0.09    -0.11   0.27   0.10
    62   1     0.02   0.02  -0.04    -0.06   0.07   0.01    -0.06   0.08   0.01
    63   1    -0.03   0.16   0.02    -0.10   0.16   0.04    -0.10   0.17   0.05
                     58                     59                     60
                      A                      A                      A
 Frequencies --    593.2573               594.4108               607.2054
 Red. masses --      5.2095                 5.4666                 6.0423
 Frc consts  --      1.0803                 1.1380                 1.3126
 IR Inten    --      0.0017                40.7914                 0.3030
 RamAct Fr= 1--      2.8825                 0.5493                17.6337
  Dep-P Fr= 1--      0.4077                 0.7500                 0.0133
  Dep-U Fr= 1--      0.5793                 0.8571                 0.0263
 Alpha2 Fr= 1--      0.0208                 0.0000                 0.3798
 Beta2  Fr= 1--      0.2783                 0.0785                 0.0772
 AlphaG Fr= 1--     -0.0247                 0.0000                -0.5691
 Gamma2 Fr= 1--      4.9529                -3.6366                 2.2313
 Delta2 Fr= 1--      3.0421                -2.6768                 0.9271
 Raman1 Fr= 1--      11.530                  2.197                 70.535
 ROA1   Fr= 1--     572.824               -434.769                243.873
 CID1   Fr= 1--      49.682               -197.859                  3.457
 Raman2 Fr= 1--       3.339                  0.942                  0.927
 ROA2   Fr= 1--      94.533                -65.863                 46.135
 CID2   Fr= 1--      28.308                -69.939                 49.778
 Raman3 Fr= 1--       6.679                  1.883                  1.854
 ROA3   Fr= 1--     572.824               -434.769                243.873
 CID3   Fr= 1--      85.767               -230.839                131.565
 RC180  Fr= 1--       0.159                  0.714                 -0.947
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.05  -0.03     0.00  -0.05   0.03    -0.09   0.03   0.14
     2   6    -0.05   0.02  -0.01     0.05  -0.01   0.02    -0.02   0.00   0.11
     3   6    -0.07   0.05   0.05     0.06  -0.05  -0.05    -0.01  -0.06  -0.08
     4   6    -0.04   0.03  -0.03     0.03  -0.02   0.03     0.07  -0.04  -0.10
     5   6     0.05  -0.00  -0.06    -0.05  -0.01   0.06    -0.02  -0.03  -0.04
     6   6     0.03   0.05  -0.10    -0.03  -0.05   0.10    -0.07   0.05   0.07
     7   6     0.07  -0.03   0.09    -0.07   0.04  -0.09    -0.04   0.08  -0.03
     8   8    -0.09  -0.12  -0.01     0.09   0.14   0.01     0.13   0.01   0.03
     9  29    -0.00  -0.00  -0.00    -0.04  -0.01   0.00     0.00  -0.00  -0.00
    10   8    -0.09   0.06   0.00     0.10  -0.06  -0.00    -0.11   0.06   0.02
    11   6    -0.08   0.07   0.03     0.09  -0.06  -0.03    -0.08   0.01  -0.03
    12   6     0.02   0.05  -0.00    -0.02  -0.05   0.00     0.05   0.05   0.01
    13   9    -0.03  -0.05  -0.01     0.03   0.06   0.01    -0.02  -0.06   0.05
    14   6     0.02  -0.08  -0.04    -0.02   0.06   0.03     0.03  -0.09  -0.05
    15   6     0.12   0.05  -0.00    -0.12  -0.05   0.00    -0.01   0.00   0.01
    16   6    -0.05  -0.05   0.15     0.05   0.05  -0.15     0.04   0.02  -0.10
    17   8     0.09   0.12  -0.01     0.09   0.14  -0.01    -0.13  -0.01   0.03
    18   6     0.04  -0.03  -0.03     0.03  -0.02  -0.02    -0.07   0.04  -0.10
    19   6    -0.05   0.00  -0.06    -0.05  -0.01  -0.06     0.02   0.03  -0.04
    20   6    -0.07   0.03   0.09    -0.07   0.04   0.09     0.04  -0.08  -0.03
    21   6     0.05  -0.02  -0.01     0.05  -0.01  -0.02     0.02  -0.00   0.11
    22   6     0.07  -0.05   0.05     0.06  -0.05   0.05     0.01   0.06  -0.08
    23   6     0.01  -0.05  -0.03     0.00  -0.05  -0.03     0.09  -0.03   0.14
    24   6    -0.03  -0.05  -0.10    -0.03  -0.05  -0.10     0.07  -0.05   0.07
    25   6     0.05   0.05   0.15     0.05   0.05   0.15    -0.04  -0.02  -0.10
    26   6    -0.12  -0.05  -0.00    -0.12  -0.05  -0.00     0.01  -0.00   0.01
    27   6    -0.02   0.08  -0.04    -0.02   0.06  -0.03    -0.03   0.09  -0.05
    28   6     0.08  -0.07   0.03     0.09  -0.06   0.03     0.08  -0.01  -0.03
    29   6    -0.02  -0.05  -0.00    -0.02  -0.05  -0.00    -0.05  -0.05   0.01
    30   9     0.03   0.05  -0.01     0.03   0.06  -0.01     0.02   0.06   0.05
    31   8     0.09  -0.07   0.00     0.10  -0.06   0.00     0.11  -0.06   0.02
    32   9    -0.02   0.05  -0.04    -0.02   0.05  -0.04    -0.00   0.04  -0.08
    33   9    -0.08  -0.03   0.03    -0.09  -0.03   0.04    -0.09  -0.09   0.03
    34   9     0.08   0.03   0.03    -0.09  -0.03  -0.04     0.09   0.09   0.03
    35   9     0.02  -0.05  -0.04    -0.02   0.05   0.04     0.00  -0.04  -0.08
    36   1     0.00  -0.07  -0.16    -0.00  -0.07  -0.17     0.04  -0.02   0.10
    37   1     0.02   0.00  -0.06     0.02   0.01  -0.07     0.04  -0.08   0.05
    38   1    -0.00  -0.01   0.04    -0.01  -0.01   0.04     0.10  -0.06   0.13
    39   1    -0.04  -0.04  -0.04    -0.05  -0.04  -0.05     0.08  -0.01   0.15
    40   1     0.10   0.05  -0.14     0.10   0.05  -0.15    -0.05  -0.06   0.16
    41   1     0.06   0.03   0.03     0.06   0.03   0.04    -0.07   0.05  -0.10
    42   1     0.11   0.05   0.16     0.11   0.05   0.15    -0.03   0.06   0.02
    43   1     0.11   0.07   0.21     0.11   0.07   0.22    -0.10  -0.00  -0.24
    44   1     0.02  -0.03  -0.07     0.02  -0.03  -0.07    -0.10   0.02   0.04
    45   1    -0.23  -0.13  -0.04    -0.24  -0.13  -0.04     0.12   0.09   0.04
    46   1    -0.13  -0.10  -0.06    -0.12  -0.10  -0.06    -0.04   0.03   0.04
    47   1     0.01   0.08  -0.00     0.01   0.06   0.01    -0.06   0.03  -0.02
    48   1     0.02   0.02   0.02     0.03   0.00   0.03    -0.09   0.17  -0.09
    49   1    -0.01   0.18  -0.04    -0.01   0.15  -0.04    -0.07   0.07  -0.03
    50   1    -0.11  -0.05   0.16     0.11   0.05  -0.15     0.03  -0.06   0.02
    51   1    -0.06  -0.03   0.03     0.06   0.02  -0.04     0.07  -0.05  -0.10
    52   1    -0.11  -0.07   0.21     0.11   0.07  -0.22     0.10   0.00  -0.24
    53   1     0.13   0.10  -0.06    -0.12  -0.10   0.06     0.04  -0.03   0.04
    54   1     0.23   0.13  -0.04    -0.24  -0.13   0.04    -0.12  -0.09   0.04
    55   1    -0.02   0.03  -0.07     0.02  -0.03   0.07     0.10  -0.02   0.04
    56   1     0.00   0.01   0.04    -0.01  -0.01  -0.04    -0.10   0.06   0.13
    57   1     0.04   0.04  -0.04    -0.05  -0.04   0.05    -0.08   0.01   0.15
    58   1    -0.02  -0.00  -0.06     0.02   0.01   0.07    -0.04   0.08   0.05
    59   1    -0.00   0.07  -0.16    -0.00  -0.07   0.17    -0.04   0.02   0.10
    60   1    -0.10  -0.05  -0.14     0.10   0.05   0.15     0.04   0.06   0.16
    61   1    -0.02  -0.02   0.02     0.03   0.00  -0.03     0.09  -0.17  -0.09
    62   1    -0.01  -0.08  -0.00     0.02   0.06  -0.01     0.06  -0.03  -0.02
    63   1     0.01  -0.18  -0.04    -0.01   0.16   0.04     0.07  -0.07  -0.03
                     61                     62                     63
                      A                      A                      A
 Frequencies --    619.9678               655.7470               657.5680
 Red. masses --      6.5830                 4.6572                 4.7417
 Frc consts  --      1.4908                 1.1799                 1.2080
 IR Inten    --      3.9578                 0.4594                23.5506
 RamAct Fr= 1--      1.1760                 4.4140                 1.4367
  Dep-P Fr= 1--      0.7500                 0.4261                 0.7499
  Dep-U Fr= 1--      0.8571                 0.5976                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0297                 0.0000
 Beta2  Fr= 1--      0.1680                 0.4396                 0.2052
 AlphaG Fr= 1--      0.0000                -0.1604                -0.0000
 Gamma2 Fr= 1--     -4.5321                -4.7802                 7.5596
 Delta2 Fr= 1--      0.8174                -5.8085                 2.4162
 Raman1 Fr= 1--       4.704                 17.656                  5.747
 ROA1   Fr= 1--    -408.928               -644.769                803.041
 CID1   Fr= 1--     -86.930                -36.518                139.741
 Raman2 Fr= 1--       2.016                  5.275                  2.463
 ROA2   Fr= 1--    -115.310                -68.256                162.102
 CID2   Fr= 1--     -57.196                -12.939                 65.823
 Raman3 Fr= 1--       4.032                 10.551                  4.925
 ROA3   Fr= 1--    -408.928               -644.769                803.041
 CID3   Fr= 1--    -101.418                -61.112                163.042
 RC180  Fr= 1--       0.714                  0.195                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.11   0.04   0.17    -0.11   0.03   0.15    -0.11   0.02   0.14
     2   6    -0.05  -0.02   0.12    -0.13  -0.07   0.05    -0.14  -0.07   0.04
     3   6    -0.02  -0.05  -0.07    -0.02   0.02  -0.00    -0.02   0.02   0.01
     4   6     0.11  -0.02  -0.12     0.03   0.03  -0.12     0.00   0.03  -0.11
     5   6     0.03  -0.01  -0.05     0.08   0.04  -0.06     0.06   0.04  -0.06
     6   6    -0.07   0.07   0.06    -0.02   0.09  -0.02    -0.02   0.08  -0.03
     7   6    -0.03   0.05  -0.04     0.05  -0.10  -0.01     0.05  -0.11  -0.01
     8   8     0.15  -0.00   0.04     0.01  -0.04   0.03    -0.02  -0.05   0.02
     9  29    -0.00  -0.04   0.00     0.00  -0.00  -0.00    -0.01   0.02  -0.00
    10   8    -0.11   0.08   0.02     0.12   0.01   0.00     0.14   0.00  -0.00
    11   6    -0.09   0.03  -0.02     0.09  -0.04   0.02     0.10  -0.05   0.02
    12   6     0.03   0.05   0.01    -0.00  -0.05  -0.01    -0.00  -0.06  -0.02
    13   9    -0.02  -0.06   0.03     0.00   0.04  -0.00     0.00   0.05   0.00
    14   6     0.03  -0.09  -0.05     0.01  -0.00  -0.02     0.01   0.01  -0.01
    15   6    -0.03  -0.01   0.00     0.02  -0.00   0.00     0.04   0.00   0.00
    16   6     0.04   0.03  -0.10     0.02  -0.01  -0.03     0.01  -0.01  -0.01
    17   8     0.15  -0.00  -0.04    -0.01   0.05   0.03    -0.02  -0.05  -0.02
    18   6     0.11  -0.02   0.12    -0.03  -0.03  -0.12     0.00   0.03   0.11
    19   6     0.03  -0.01   0.05    -0.08  -0.04  -0.06     0.06   0.04   0.06
    20   6    -0.04   0.05   0.04    -0.05   0.10  -0.01     0.05  -0.11   0.01
    21   6    -0.05  -0.02  -0.12     0.13   0.07   0.05    -0.13  -0.07  -0.04
    22   6    -0.02  -0.05   0.07     0.02  -0.02  -0.00    -0.02   0.02  -0.01
    23   6    -0.11   0.04  -0.17     0.12  -0.03   0.16    -0.10   0.02  -0.13
    24   6    -0.07   0.07  -0.06     0.02  -0.09  -0.02    -0.02   0.08   0.03
    25   6     0.04   0.03   0.10    -0.02   0.01  -0.03     0.01  -0.01   0.01
    26   6    -0.03  -0.01  -0.00    -0.02   0.00   0.00     0.04   0.00  -0.00
    27   6     0.03  -0.09   0.05    -0.01  -0.00  -0.02     0.01   0.01   0.01
    28   6    -0.09   0.03   0.02    -0.09   0.04   0.02     0.10  -0.04  -0.02
    29   6     0.03   0.05  -0.01     0.00   0.05  -0.01    -0.00  -0.06   0.02
    30   9    -0.02  -0.06  -0.03    -0.00  -0.04  -0.00     0.00   0.05  -0.00
    31   8    -0.11   0.08  -0.02    -0.12  -0.01   0.00     0.14   0.00   0.00
    32   9     0.01  -0.04   0.06    -0.02  -0.04   0.01     0.02   0.05  -0.01
    33   9     0.09   0.07  -0.03     0.07   0.04  -0.01    -0.08  -0.05   0.01
    34   9     0.09   0.07   0.03    -0.06  -0.04  -0.01    -0.08  -0.05  -0.01
    35   9     0.01  -0.04  -0.06     0.02   0.04   0.01     0.02   0.05   0.01
    36   1    -0.05   0.05  -0.02     0.00  -0.06  -0.19     0.01   0.04   0.17
    37   1    -0.09   0.06  -0.07     0.09  -0.01   0.02    -0.06   0.01   0.00
    38   1    -0.11   0.06  -0.19     0.10  -0.01   0.33    -0.08   0.00  -0.32
    39   1    -0.07   0.03  -0.16    -0.02  -0.05   0.08     0.04   0.05  -0.05
    40   1     0.02   0.03  -0.14     0.18   0.13  -0.08    -0.19  -0.14   0.10
    41   1     0.07  -0.04   0.09    -0.00  -0.03  -0.04    -0.01   0.03   0.03
    42   1     0.04  -0.05   0.01    -0.02  -0.03  -0.09     0.01   0.04   0.07
    43   1     0.10   0.01   0.23     0.02   0.00   0.05    -0.04  -0.01  -0.08
    44   1     0.06  -0.00  -0.04     0.01  -0.10   0.02    -0.00   0.10  -0.02
    45   1    -0.11  -0.05  -0.04    -0.15  -0.14   0.05     0.18   0.15  -0.04
    46   1    -0.04  -0.03  -0.03     0.19  -0.01  -0.01    -0.17   0.02   0.01
    47   1     0.04  -0.07   0.04     0.02   0.05  -0.02    -0.02  -0.02   0.01
    48   1     0.05  -0.12   0.07     0.05  -0.09   0.03    -0.05   0.09  -0.03
    49   1     0.05  -0.09   0.04     0.02   0.07  -0.03    -0.02  -0.05   0.02
    50   1     0.04  -0.05  -0.01     0.02   0.03  -0.08     0.01   0.04  -0.08
    51   1     0.07  -0.04  -0.09     0.00   0.03  -0.04    -0.01   0.03  -0.03
    52   1     0.10   0.01  -0.23    -0.02  -0.00   0.05    -0.04  -0.01   0.09
    53   1    -0.04  -0.03   0.03    -0.19   0.01  -0.01    -0.17   0.02  -0.01
    54   1    -0.11  -0.05   0.04     0.15   0.14   0.05     0.18   0.15   0.04
    55   1     0.06  -0.00   0.04    -0.01   0.09   0.02    -0.00   0.10   0.02
    56   1    -0.11   0.06   0.19    -0.10   0.01   0.32    -0.08   0.00   0.32
    57   1    -0.07   0.03   0.16     0.02   0.05   0.08     0.04   0.05   0.05
    58   1    -0.09   0.06   0.07    -0.08   0.01   0.02    -0.06   0.01  -0.00
    59   1    -0.05   0.05   0.02    -0.00   0.05  -0.19     0.01   0.04  -0.18
    60   1     0.02   0.03   0.14    -0.17  -0.13  -0.08    -0.19  -0.14  -0.10
    61   1     0.05  -0.12  -0.07    -0.05   0.08   0.02    -0.05   0.09   0.03
    62   1     0.04  -0.07  -0.04    -0.02  -0.05  -0.02    -0.02  -0.02  -0.01
    63   1     0.05  -0.09  -0.04    -0.02  -0.06  -0.03    -0.02  -0.05  -0.03
                     64                     65                     66
                      A                      A                      A
 Frequencies --    696.1093               701.0676               722.5312
 Red. masses --      4.8409                 5.0446                 6.7575
 Frc consts  --      1.3821                 1.4608                 2.0785
 IR Inten    --      0.1121                17.0139                 2.0012
 RamAct Fr= 1--     30.5444                 0.0770                 4.0117
  Dep-P Fr= 1--      0.0058                 0.7345                 0.5297
  Dep-U Fr= 1--      0.0114                 0.8469                 0.6925
 Alpha2 Fr= 1--      0.6697                 0.0000                 0.0171
 Beta2  Fr= 1--      0.0583                 0.0109                 0.4630
 AlphaG Fr= 1--     -0.2652                 0.0000                 0.0692
 Gamma2 Fr= 1--     -0.0153                -2.2145                -9.0762
 Delta2 Fr= 1--     -0.2895                 0.7126                -3.5345
 Raman1 Fr= 1--     122.178                  0.308                 16.047
 ROA1   Fr= 1--     -10.734               -189.790               -984.422
 CID1   Fr= 1--      -0.088               -616.563                -61.347
 Raman2 Fr= 1--       0.699                  0.130                  5.557
 ROA2   Fr= 1--       1.948                -58.849               -189.554
 CID2   Fr= 1--       2.786               -451.453                -34.114
 Raman3 Fr= 1--       1.399                  0.261                 11.113
 ROA3   Fr= 1--     -10.734               -189.790               -984.422
 CID3   Fr= 1--      -7.675               -727.980                -88.582
 RC180  Fr= 1--      -0.977                  0.694                  0.385
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.02  -0.02    -0.01   0.02   0.02     0.02  -0.00   0.03
     2   6    -0.00  -0.07  -0.05    -0.02   0.08   0.04     0.17  -0.05   0.05
     3   6    -0.00  -0.13   0.00    -0.01   0.13   0.00     0.07   0.02   0.01
     4   6    -0.02  -0.08  -0.07     0.01   0.07   0.08    -0.02   0.05  -0.21
     5   6    -0.12   0.02  -0.04     0.13  -0.01   0.04    -0.10   0.00  -0.04
     6   6    -0.02  -0.01  -0.03     0.02   0.01   0.02    -0.06  -0.01   0.06
     7   6     0.02  -0.02   0.02    -0.02   0.02  -0.01     0.05  -0.12  -0.01
     8   8     0.02   0.08   0.02    -0.03  -0.10  -0.03    -0.04   0.04   0.05
     9  29    -0.00  -0.00  -0.00     0.00   0.03  -0.00     0.00   0.00  -0.00
    10   8    -0.03   0.08  -0.00     0.05  -0.10   0.00    -0.01  -0.06  -0.05
    11   6    -0.02  -0.11   0.04     0.03   0.10  -0.05    -0.01   0.04   0.22
    12   6     0.04  -0.06  -0.01    -0.04   0.05   0.01    -0.04   0.09  -0.01
    13   9     0.00   0.01   0.08    -0.00  -0.01  -0.07    -0.08   0.02  -0.15
    14   6    -0.05   0.13   0.04     0.05  -0.13  -0.04    -0.03   0.06   0.01
    15   6     0.10   0.04   0.01    -0.09  -0.03  -0.00    -0.00  -0.02  -0.00
    16   6    -0.02  -0.02   0.08     0.02   0.02  -0.07     0.02  -0.01  -0.03
    17   8    -0.02  -0.08   0.02    -0.03  -0.10   0.03     0.04  -0.04   0.05
    18   6     0.02   0.08  -0.07     0.01   0.07  -0.08     0.02  -0.04  -0.20
    19   6     0.12  -0.02  -0.04     0.13  -0.01  -0.04     0.09  -0.00  -0.04
    20   6    -0.02   0.02   0.02    -0.02   0.02   0.01    -0.05   0.12  -0.01
    21   6     0.00   0.07  -0.05    -0.02   0.08  -0.04    -0.16   0.05   0.05
    22   6     0.00   0.13   0.00    -0.01   0.14  -0.00    -0.06  -0.02   0.01
    23   6    -0.00   0.02  -0.02    -0.01   0.02  -0.02    -0.02   0.00   0.03
    24   6     0.02   0.01  -0.03     0.02   0.01  -0.02     0.06   0.01   0.06
    25   6     0.02   0.02   0.08     0.02   0.02   0.07    -0.02   0.01  -0.02
    26   6    -0.10  -0.04   0.01    -0.09  -0.03   0.00    -0.00   0.02  -0.00
    27   6     0.05  -0.13   0.04     0.05  -0.13   0.04     0.03  -0.06   0.01
    28   6     0.02   0.11   0.04     0.03   0.10   0.05     0.01  -0.04   0.21
    29   6    -0.04   0.06  -0.01    -0.04   0.05  -0.01     0.04  -0.08  -0.01
    30   9    -0.00  -0.01   0.08    -0.00  -0.01   0.07     0.07  -0.02  -0.14
    31   8     0.03  -0.08  -0.00     0.05  -0.10  -0.00     0.01   0.06  -0.05
    32   9    -0.07  -0.03  -0.09    -0.07  -0.03  -0.09     0.00   0.05   0.05
    33   9     0.05  -0.02   0.01     0.04  -0.03   0.01    -0.08  -0.01   0.03
    34   9    -0.05   0.02   0.01     0.04  -0.03  -0.01     0.08   0.01   0.04
    35   9     0.07   0.03  -0.09    -0.07  -0.03   0.09    -0.00  -0.05   0.05
    36   1    -0.05   0.06   0.11    -0.05   0.06   0.13     0.07  -0.01   0.10
    37   1    -0.11  -0.08  -0.14    -0.11  -0.08  -0.13    -0.00   0.03  -0.01
    38   1    -0.02  -0.04   0.09    -0.01  -0.06   0.07     0.01  -0.07  -0.21
    39   1    -0.12   0.01  -0.09    -0.11   0.01  -0.08     0.13   0.03   0.12
    40   1    -0.04   0.06  -0.10    -0.07   0.06  -0.09    -0.16   0.06   0.02
    41   1     0.03  -0.00   0.03     0.03  -0.00   0.03     0.02  -0.07  -0.02
    42   1     0.04   0.01   0.06     0.04   0.01   0.06    -0.04  -0.09  -0.16
    43   1     0.06   0.03   0.13     0.05   0.03   0.12     0.05  -0.01   0.14
    44   1    -0.09  -0.04  -0.00    -0.09  -0.03   0.00     0.03  -0.02   0.00
    45   1    -0.12  -0.06   0.00    -0.11  -0.04   0.00    -0.08  -0.05   0.01
    46   1    -0.10  -0.04  -0.00    -0.10  -0.04  -0.00     0.10   0.02   0.00
    47   1     0.00  -0.33   0.15     0.00  -0.34   0.15     0.00  -0.16   0.06
    48   1    -0.08   0.04   0.01    -0.09   0.06  -0.00    -0.05   0.05  -0.03
    49   1    -0.06  -0.15   0.09    -0.07  -0.15   0.09    -0.03  -0.09   0.04
    50   1    -0.04  -0.01   0.06     0.04   0.01  -0.06     0.04   0.09  -0.17
    51   1    -0.03   0.00   0.03     0.03  -0.00  -0.03    -0.02   0.08  -0.02
    52   1    -0.06  -0.03   0.13     0.05   0.03  -0.12    -0.05   0.01   0.14
    53   1     0.10   0.04  -0.00    -0.10  -0.04   0.00    -0.10  -0.03   0.00
    54   1     0.12   0.06   0.00    -0.11  -0.04  -0.00     0.08   0.05   0.01
    55   1     0.09   0.04  -0.00    -0.09  -0.03  -0.00    -0.03   0.02   0.00
    56   1     0.02   0.04   0.09    -0.01  -0.06  -0.07    -0.01   0.07  -0.22
    57   1     0.12  -0.01  -0.09    -0.11   0.01   0.08    -0.13  -0.03   0.12
    58   1     0.11   0.08  -0.14    -0.11  -0.08   0.13     0.00  -0.03  -0.01
    59   1     0.06  -0.06   0.11    -0.05   0.06  -0.13    -0.08   0.01   0.10
    60   1     0.04  -0.06  -0.11    -0.07   0.06   0.09     0.17  -0.06   0.02
    61   1     0.08  -0.05   0.01    -0.09   0.06   0.00     0.05  -0.05  -0.03
    62   1    -0.00   0.33   0.15     0.00  -0.33  -0.15    -0.00   0.17   0.07
    63   1     0.06   0.15   0.09    -0.06  -0.15  -0.09     0.03   0.09   0.04
                     67                     68                     69
                      A                      A                      A
 Frequencies --    723.1417               748.4054               748.6068
 Red. masses --      6.7687                 4.4178                 4.5994
 Frc consts  --      2.0855                 1.4579                 1.5186
 IR Inten    --     27.5306                13.6250                 1.3158
 RamAct Fr= 1--      2.9455                 3.1056                 1.9791
  Dep-P Fr= 1--      0.7499                 0.7473                 0.3643
  Dep-U Fr= 1--      0.8571                 0.8554                 0.5341
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0166
 Beta2  Fr= 1--      0.4208                 0.4427                 0.1762
 AlphaG Fr= 1--      0.0000                 0.0004                 0.0501
 Gamma2 Fr= 1--      0.1034                 0.0914                -2.5694
 Delta2 Fr= 1--      3.5339                 2.8711                -1.5175
 Raman1 Fr= 1--      11.782                 12.422                  7.916
 ROA1   Fr= 1--     123.015                100.649               -295.225
 CID1   Fr= 1--      10.441                  8.102                -37.293
 Raman2 Fr= 1--       5.049                  5.313                  2.114
 ROA2   Fr= 1--     -25.789                -20.775                -49.526
 CID2   Fr= 1--      -5.108                 -3.910                -23.427
 Raman3 Fr= 1--      10.098                 10.626                  4.228
 ROA3   Fr= 1--     123.015                100.649               -295.225
 CID3   Fr= 1--      12.182                  9.472                -69.825
 RC180  Fr= 1--       0.714                  0.711                  0.068
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.00  -0.03     0.04  -0.00  -0.04     0.04  -0.00  -0.04
     2   6    -0.16   0.04  -0.05     0.00   0.06  -0.00    -0.00   0.05  -0.01
     3   6    -0.06  -0.03  -0.01    -0.03   0.02  -0.05    -0.03   0.02  -0.05
     4   6     0.02  -0.05   0.20    -0.02   0.02  -0.06    -0.02   0.02  -0.05
     5   6     0.08  -0.00   0.03     0.11  -0.01   0.09     0.09  -0.01   0.08
     6   6     0.05   0.01  -0.06     0.04  -0.02   0.06     0.03  -0.02   0.05
     7   6    -0.05   0.12   0.01    -0.02   0.05   0.01    -0.02   0.05   0.01
     8   8     0.05  -0.03  -0.04    -0.05  -0.03   0.01    -0.04  -0.03   0.01
     9  29    -0.00  -0.01  -0.00     0.01  -0.00   0.00    -0.00   0.00   0.00
    10   8     0.01   0.07   0.05    -0.04   0.04  -0.04    -0.03   0.03  -0.04
    11   6    -0.00  -0.04  -0.21    -0.03  -0.05   0.23    -0.03  -0.04   0.20
    12   6     0.04  -0.08   0.01     0.03  -0.07  -0.02     0.02  -0.05  -0.02
    13   9     0.07  -0.02   0.14    -0.01   0.03   0.05    -0.01   0.03   0.03
    14   6     0.03  -0.05  -0.01     0.03  -0.03   0.01     0.03  -0.03   0.01
    15   6     0.01   0.03   0.00    -0.05  -0.01   0.01    -0.03  -0.00   0.00
    16   6    -0.02   0.01   0.03     0.01   0.02  -0.05     0.01   0.02  -0.03
    17   8     0.05  -0.03   0.05    -0.04  -0.03  -0.00     0.05   0.03   0.01
    18   6     0.02  -0.05  -0.21    -0.02   0.02   0.05     0.02  -0.02  -0.06
    19   6     0.08  -0.00  -0.03     0.09  -0.01  -0.07    -0.11   0.01   0.09
    20   6    -0.05   0.12  -0.01    -0.02   0.04  -0.01     0.03  -0.06   0.01
    21   6    -0.17   0.04   0.05     0.00   0.05  -0.00     0.00  -0.06  -0.01
    22   6    -0.07  -0.03   0.01    -0.03   0.02   0.04     0.03  -0.02  -0.06
    23   6    -0.02  -0.00   0.03     0.04  -0.00   0.04    -0.05   0.00  -0.05
    24   6     0.06   0.01   0.06     0.03  -0.01  -0.05    -0.04   0.02   0.06
    25   6    -0.02   0.01  -0.03     0.01   0.02   0.04    -0.01  -0.02  -0.04
    26   6     0.01   0.03  -0.00    -0.04  -0.01  -0.00     0.04   0.00   0.01
    27   6     0.03  -0.05   0.01     0.03  -0.03  -0.00    -0.03   0.04   0.01
    28   6    -0.00  -0.04   0.22    -0.03  -0.04  -0.18     0.03   0.05   0.24
    29   6     0.04  -0.09  -0.01     0.03  -0.06   0.02    -0.03   0.07  -0.02
    30   9     0.08  -0.02  -0.15    -0.01   0.03  -0.04     0.01  -0.03   0.04
    31   8     0.01   0.07  -0.05    -0.03   0.04   0.04     0.04  -0.04  -0.05
    32   9     0.01   0.05   0.05     0.09   0.02   0.09    -0.11  -0.02  -0.11
    33   9    -0.08  -0.01   0.03    -0.07  -0.03  -0.00     0.08   0.04   0.00
    34   9    -0.08  -0.00  -0.03    -0.08  -0.04   0.00    -0.07  -0.03   0.00
    35   9     0.01   0.05  -0.05     0.11   0.02  -0.11     0.09   0.02  -0.09
    36   1     0.08  -0.02   0.08    -0.10   0.09   0.19     0.12  -0.10  -0.22
    37   1     0.01   0.04   0.00    -0.14  -0.19  -0.18     0.17   0.23   0.23
    38   1     0.02  -0.07  -0.23     0.02  -0.09   0.17    -0.03   0.11  -0.20
    39   1     0.15   0.03   0.13    -0.13   0.04  -0.02     0.14  -0.05   0.00
    40   1    -0.16   0.06   0.03    -0.01   0.06  -0.07     0.03  -0.07   0.08
    41   1     0.01  -0.08  -0.03     0.02  -0.00   0.04    -0.02   0.01  -0.05
    42   1    -0.04  -0.10  -0.18     0.01  -0.01   0.00    -0.01   0.01   0.01
    43   1     0.05  -0.02   0.14     0.04   0.01   0.08    -0.05  -0.02  -0.11
    44   1     0.04  -0.02   0.00    -0.04  -0.04   0.01     0.04   0.05  -0.01
    45   1    -0.07  -0.05   0.01    -0.08  -0.05   0.01     0.10   0.07  -0.01
    46   1     0.11   0.03   0.00     0.02  -0.01  -0.00    -0.04   0.00   0.01
    47   1     0.00  -0.14   0.05     0.00  -0.20   0.10    -0.01   0.24  -0.12
    48   1    -0.04   0.04  -0.03    -0.06   0.10  -0.00     0.07  -0.11  -0.00
    49   1    -0.02  -0.08   0.04    -0.06   0.01   0.03     0.07  -0.02  -0.03
    50   1    -0.04  -0.09   0.18     0.01  -0.01  -0.00     0.01  -0.01   0.01
    51   1     0.01  -0.08   0.03     0.02  -0.00  -0.05     0.02  -0.00  -0.04
    52   1     0.05  -0.02  -0.13     0.04   0.02  -0.10     0.04   0.01  -0.09
    53   1     0.11   0.03  -0.00     0.03  -0.01   0.00     0.04  -0.00   0.00
    54   1    -0.07  -0.05  -0.01    -0.10  -0.06  -0.01    -0.09  -0.06  -0.01
    55   1     0.04  -0.02  -0.00    -0.05  -0.05  -0.01    -0.03  -0.04  -0.01
    56   1     0.02  -0.06   0.22     0.03  -0.11  -0.20     0.03  -0.09  -0.16
    57   1     0.14   0.03  -0.13    -0.16   0.05   0.02    -0.12   0.04   0.00
    58   1     0.01   0.04  -0.00    -0.17  -0.23   0.22    -0.14  -0.19   0.19
    59   1     0.08  -0.02  -0.08    -0.12   0.10  -0.22    -0.10   0.08  -0.18
    60   1    -0.16   0.05  -0.02    -0.02   0.07   0.09    -0.02   0.06   0.07
    61   1    -0.04   0.04   0.03    -0.08   0.12   0.00    -0.06   0.09  -0.00
    62   1     0.00  -0.13  -0.05     0.00  -0.24  -0.12     0.00  -0.19  -0.10
    63   1    -0.02  -0.08  -0.03    -0.07   0.02  -0.03    -0.06   0.02  -0.03
                     70                     71                     72
                      A                      A                      A
 Frequencies --    758.3131               760.4065               820.4215
 Red. masses --      3.6695                 3.4605                 3.2168
 Frc consts  --      1.2432                 1.1789                 1.2757
 IR Inten    --     10.5370                 4.5752                 2.9348
 RamAct Fr= 1--      0.4433                 6.3766                 1.1326
  Dep-P Fr= 1--      0.7496                 0.1622                 0.3847
  Dep-U Fr= 1--      0.8569                 0.2792                 0.5557
 Alpha2 Fr= 1--      0.0000                 0.0956                 0.0089
 Beta2  Fr= 1--      0.0633                 0.2967                 0.1049
 AlphaG Fr= 1--      0.0000                -0.0014                -0.0065
 Gamma2 Fr= 1--      1.4712                -2.6760                -2.0515
 Delta2 Fr= 1--      1.2768                -2.1319                -1.1949
 Raman1 Fr= 1--       1.773                 25.506                  4.530
 ROA1   Fr= 1--     182.095               -325.116               -235.179
 CID1   Fr= 1--     102.684                -12.746                -51.911
 Raman2 Fr= 1--       0.760                  3.560                  1.259
 ROA2   Fr= 1--      25.094                -47.168                -39.676
 CID2   Fr= 1--      33.029                -13.249                -31.522
 Raman3 Fr= 1--       1.520                  7.120                  2.517
 ROA3   Fr= 1--     182.095               -325.116               -235.179
 CID3   Fr= 1--     119.837                -45.661                -93.423
 RC180  Fr= 1--       0.714                 -0.442                  0.111
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.03  -0.05    -0.03  -0.03  -0.04    -0.02  -0.01   0.00
     2   6    -0.13  -0.01  -0.10    -0.13  -0.01  -0.09     0.05   0.01   0.00
     3   6    -0.02   0.02  -0.04    -0.01   0.02  -0.04     0.02   0.11   0.00
     4   6     0.05  -0.01   0.00     0.06  -0.01   0.01     0.06   0.10   0.02
     5   6    -0.02  -0.01   0.03    -0.02  -0.01   0.02    -0.04   0.02  -0.04
     6   6    -0.02  -0.06   0.04    -0.02  -0.05   0.03    -0.08  -0.05   0.02
     7   6    -0.05   0.10   0.01    -0.04   0.10   0.01     0.02  -0.03  -0.01
     8   8     0.08  -0.02  -0.00     0.08  -0.02  -0.01     0.03  -0.04  -0.01
     9  29    -0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   8     0.06  -0.01  -0.04     0.06  -0.01  -0.03    -0.04  -0.04  -0.01
    11   6     0.04  -0.01   0.15     0.04  -0.01   0.13    -0.02   0.11   0.03
    12   6    -0.02   0.03  -0.00    -0.02   0.03  -0.00     0.00  -0.02  -0.00
    13   9    -0.05   0.02  -0.08    -0.04   0.02  -0.08     0.03  -0.01   0.06
    14   6    -0.00  -0.02  -0.00    -0.00  -0.02  -0.01    -0.00  -0.03  -0.03
    15   6     0.04   0.04  -0.00     0.03   0.04  -0.00    -0.02  -0.01  -0.01
    16   6    -0.02   0.01   0.05    -0.02   0.01   0.05    -0.00  -0.01   0.01
    17   8     0.08  -0.02   0.00    -0.08   0.02  -0.01    -0.03   0.04  -0.01
    18   6     0.05  -0.01  -0.00    -0.06   0.01   0.01    -0.06  -0.10   0.02
    19   6    -0.02  -0.01  -0.03     0.02   0.01   0.02     0.04  -0.02  -0.04
    20   6    -0.05   0.10  -0.01     0.04  -0.10   0.01    -0.02   0.03  -0.01
    21   6    -0.13  -0.01   0.10     0.13   0.01  -0.09    -0.05  -0.01   0.00
    22   6    -0.02   0.02   0.04     0.01  -0.02  -0.04    -0.02  -0.11   0.00
    23   6    -0.02  -0.03   0.05     0.03   0.03  -0.04     0.02   0.01   0.00
    24   6    -0.02  -0.05  -0.04     0.02   0.05   0.03     0.08   0.05   0.02
    25   6    -0.02   0.01  -0.05     0.02  -0.01   0.05     0.00   0.01   0.01
    26   6     0.03   0.04   0.00    -0.03  -0.04  -0.00     0.02   0.01  -0.01
    27   6    -0.00  -0.02   0.00     0.00   0.02  -0.01     0.00   0.03  -0.03
    28   6     0.04  -0.01  -0.15    -0.04   0.01   0.13     0.02  -0.10   0.02
    29   6    -0.02   0.03   0.00     0.02  -0.03  -0.00    -0.00   0.02  -0.00
    30   9    -0.04   0.02   0.08     0.04  -0.02  -0.08    -0.03   0.01   0.06
    31   8     0.06  -0.01   0.03    -0.06   0.01  -0.03     0.04   0.04  -0.01
    32   9    -0.01  -0.02  -0.03     0.01   0.02   0.04    -0.05  -0.02  -0.05
    33   9     0.03   0.00  -0.01    -0.03  -0.00   0.01     0.07   0.06  -0.02
    34   9     0.03   0.00   0.01     0.03   0.00   0.01    -0.07  -0.07  -0.02
    35   9    -0.01  -0.02   0.03    -0.01  -0.02   0.04     0.05   0.02  -0.05
    36   1     0.07  -0.13  -0.15    -0.08   0.13   0.16    -0.12   0.20   0.33
    37   1     0.03   0.11  -0.03    -0.04  -0.13   0.02    -0.11  -0.28  -0.08
    38   1     0.01   0.05  -0.27    -0.01  -0.06   0.29     0.02  -0.24   0.08
    39   1     0.24   0.01   0.20    -0.25  -0.01  -0.20    -0.17   0.13  -0.01
    40   1    -0.17  -0.03   0.08     0.17   0.03  -0.09    -0.01   0.01  -0.00
    41   1     0.00  -0.06  -0.03    -0.00   0.06   0.04     0.01  -0.01   0.02
    42   1    -0.04  -0.08  -0.17     0.04   0.08   0.16    -0.01  -0.02  -0.03
    43   1     0.03  -0.01   0.08    -0.03   0.01  -0.08     0.02  -0.00   0.06
    44   1     0.10  -0.03  -0.00    -0.10   0.02   0.00     0.01   0.00  -0.00
    45   1    -0.08  -0.07   0.01     0.08   0.07  -0.01    -0.00  -0.00  -0.01
    46   1     0.18   0.03  -0.01    -0.17  -0.03   0.01     0.03   0.01  -0.01
    47   1     0.02   0.02  -0.01    -0.02  -0.02   0.01     0.02  -0.04   0.05
    48   1     0.04  -0.08   0.02    -0.04   0.08  -0.02    -0.02   0.06   0.02
    49   1     0.03  -0.00  -0.01    -0.03   0.01   0.01    -0.03   0.14  -0.02
    50   1    -0.04  -0.08   0.17    -0.04  -0.08   0.16     0.01   0.02  -0.03
    51   1     0.00  -0.06   0.03     0.00  -0.06   0.04    -0.01   0.01   0.02
    52   1     0.03  -0.01  -0.08     0.03  -0.01  -0.08    -0.02   0.00   0.06
    53   1     0.18   0.03   0.01     0.17   0.03   0.01    -0.03  -0.01  -0.01
    54   1    -0.09  -0.07  -0.01    -0.08  -0.07  -0.01     0.00   0.00  -0.01
    55   1     0.10  -0.03   0.00     0.10  -0.02   0.00    -0.01  -0.00  -0.00
    56   1     0.01   0.05   0.27     0.00   0.06   0.28    -0.02   0.24   0.08
    57   1     0.24   0.01  -0.21     0.25   0.01  -0.20     0.17  -0.13  -0.01
    58   1     0.03   0.12   0.03     0.04   0.13   0.02     0.11   0.28  -0.08
    59   1     0.07  -0.13   0.15     0.08  -0.13   0.16     0.12  -0.21   0.33
    60   1    -0.17  -0.03  -0.08    -0.17  -0.03  -0.09     0.01  -0.01  -0.00
    61   1     0.04  -0.08  -0.02     0.04  -0.08  -0.02     0.02  -0.06   0.02
    62   1     0.02   0.02   0.01     0.02   0.02   0.01    -0.02   0.04   0.05
    63   1     0.03  -0.00   0.01     0.03  -0.01   0.01     0.03  -0.14  -0.02
                     73                     74                     75
                      A                      A                      A
 Frequencies --    822.1701               834.3695               834.5893
 Red. masses --      3.0698                 4.9944                 4.8930
 Frc consts  --      1.2226                 2.0486                 2.0080
 IR Inten    --     49.2637                 3.1925                11.8175
 RamAct Fr= 1--      0.4495                 3.3387                 0.0933
  Dep-P Fr= 1--      0.7499                 0.7500                 0.3878
  Dep-U Fr= 1--      0.8570                 0.8571                 0.5589
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0007
 Beta2  Fr= 1--      0.0642                 0.4770                 0.0087
 AlphaG Fr= 1--      0.0000                 0.0000                -0.0008
 Gamma2 Fr= 1--      2.1909                 3.4150                 0.2028
 Delta2 Fr= 1--     -0.0052                 0.1806                -0.0818
 Raman1 Fr= 1--       1.798                 13.355                  0.373
 ROA1   Fr= 1--     210.157                333.614                 16.851
 CID1   Fr= 1--     116.888                 24.981                 45.136
 Raman2 Fr= 1--       0.770                  5.723                  0.104
 ROA2   Fr= 1--      52.622                 80.514                  5.522
 CID2   Fr= 1--      68.299                 14.067                 52.932
 Raman3 Fr= 1--       1.541                 11.447                  0.209
 ROA3   Fr= 1--     210.157                333.614                 16.851
 CID3   Fr= 1--     136.384                 29.144                 80.765
 RC180  Fr= 1--       0.714                  0.714                  0.118
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.00     0.03  -0.02  -0.07    -0.03   0.02   0.07
     2   6     0.05   0.01   0.00    -0.00  -0.07  -0.07     0.00   0.07   0.07
     3   6     0.02   0.11  -0.00    -0.00   0.00   0.20     0.00   0.00  -0.20
     4   6     0.06   0.10   0.03     0.01   0.06  -0.23    -0.01  -0.06   0.23
     5   6    -0.04   0.02  -0.04     0.02   0.01  -0.01    -0.03  -0.01   0.01
     6   6    -0.08  -0.05   0.02    -0.01  -0.05   0.16     0.01   0.05  -0.16
     7   6     0.02  -0.03  -0.01    -0.03   0.06   0.00     0.03  -0.06  -0.00
     8   8     0.03  -0.04  -0.01    -0.01  -0.02   0.05     0.01   0.02  -0.05
     9  29    -0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    10   8    -0.04  -0.04  -0.01     0.00  -0.01   0.03    -0.01   0.01  -0.03
    11   6    -0.02   0.10   0.03     0.00   0.05  -0.14    -0.00  -0.04   0.14
    12   6     0.00  -0.02  -0.00     0.00  -0.00  -0.01    -0.00   0.00   0.01
    13   9     0.03  -0.01   0.06     0.03  -0.02   0.03    -0.02   0.01  -0.03
    14   6    -0.00  -0.03  -0.03     0.01   0.00  -0.01    -0.01  -0.00   0.01
    15   6    -0.02  -0.01  -0.01     0.01   0.03   0.00    -0.01  -0.03  -0.00
    16   6    -0.00  -0.01   0.01    -0.01   0.01   0.02     0.01  -0.01  -0.02
    17   8     0.03  -0.04   0.01    -0.01  -0.02  -0.05    -0.01  -0.02  -0.05
    18   6     0.06   0.10  -0.03     0.01   0.07   0.23     0.01   0.06   0.22
    19   6    -0.04   0.02   0.04     0.02   0.01   0.01     0.03   0.01   0.01
    20   6     0.02  -0.03   0.01    -0.03   0.06  -0.00    -0.03   0.06  -0.00
    21   6     0.05   0.01  -0.00    -0.00  -0.07   0.07    -0.00  -0.07   0.07
    22   6     0.02   0.11   0.00    -0.00   0.00  -0.20    -0.00  -0.00  -0.19
    23   6    -0.02  -0.01  -0.00     0.03  -0.02   0.07     0.03  -0.02   0.07
    24   6    -0.08  -0.05  -0.02    -0.01  -0.06  -0.17    -0.01  -0.05  -0.16
    25   6    -0.00  -0.01  -0.01    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    26   6    -0.02  -0.01   0.01     0.01   0.03  -0.00     0.01   0.03  -0.00
    27   6    -0.00  -0.03   0.03     0.01   0.00   0.01     0.01   0.00   0.01
    28   6    -0.02   0.10  -0.03     0.00   0.05   0.14     0.00   0.04   0.14
    29   6     0.00  -0.02   0.00     0.00  -0.00   0.01     0.00  -0.00   0.01
    30   9     0.03  -0.01  -0.06     0.03  -0.02  -0.03     0.02  -0.01  -0.03
    31   8    -0.04  -0.04   0.01     0.00  -0.01  -0.03     0.00  -0.01  -0.03
    32   9     0.05   0.01   0.05    -0.01   0.01  -0.01    -0.01   0.01  -0.01
    33   9    -0.07  -0.06   0.02    -0.01  -0.01   0.01    -0.01  -0.01   0.01
    34   9    -0.07  -0.06  -0.02    -0.01  -0.01  -0.01     0.01   0.01   0.01
    35   9     0.05   0.01  -0.05    -0.01   0.01   0.01     0.01  -0.01  -0.01
    36   1     0.13  -0.21  -0.33    -0.14   0.04   0.03    -0.14   0.05   0.04
    37   1     0.11   0.29   0.08    -0.15  -0.17  -0.28    -0.15  -0.18  -0.27
    38   1    -0.02   0.24  -0.09     0.03   0.03   0.02     0.03   0.02   0.02
    39   1     0.18  -0.13   0.01     0.05   0.17   0.21     0.04   0.18   0.21
    40   1     0.02  -0.01   0.00    -0.02  -0.07   0.03    -0.02  -0.07   0.02
    41   1    -0.01   0.01  -0.02     0.01  -0.04  -0.02     0.01  -0.04  -0.02
    42   1     0.01   0.02   0.03    -0.01  -0.04  -0.09    -0.01  -0.05  -0.09
    43   1    -0.02   0.00  -0.06     0.04   0.00   0.08     0.04   0.00   0.08
    44   1    -0.01  -0.00   0.00     0.06  -0.05   0.00     0.06  -0.05   0.00
    45   1     0.00   0.00   0.01    -0.12  -0.09   0.02    -0.11  -0.09   0.02
    46   1    -0.03  -0.01   0.01     0.17   0.02  -0.02     0.17   0.02  -0.02
    47   1    -0.02   0.04  -0.05    -0.02   0.01  -0.03    -0.02   0.01  -0.03
    48   1     0.01  -0.05  -0.02    -0.01   0.02  -0.02    -0.01   0.02  -0.02
    49   1     0.03  -0.14   0.03     0.02  -0.08   0.01     0.02  -0.07   0.01
    50   1     0.01   0.02  -0.03    -0.01  -0.04   0.09     0.01   0.05  -0.10
    51   1    -0.01   0.01   0.02     0.01  -0.04   0.02    -0.01   0.04  -0.02
    52   1    -0.02   0.00   0.06     0.04   0.00  -0.08    -0.04  -0.00   0.08
    53   1    -0.03  -0.01  -0.01     0.17   0.02   0.02    -0.17  -0.02  -0.02
    54   1     0.00   0.00  -0.01    -0.12  -0.09  -0.02     0.12   0.09   0.02
    55   1    -0.01  -0.00  -0.00     0.06  -0.05  -0.00    -0.07   0.05   0.00
    56   1    -0.02   0.24   0.09     0.03   0.03  -0.01    -0.03  -0.02   0.02
    57   1     0.18  -0.13  -0.01     0.05   0.17  -0.21    -0.04  -0.18   0.21
    58   1     0.11   0.29  -0.08    -0.15  -0.17   0.27     0.15   0.18  -0.28
    59   1     0.13  -0.21   0.32    -0.14   0.04  -0.03     0.14  -0.05   0.04
    60   1     0.02  -0.01  -0.00    -0.02  -0.07  -0.02     0.02   0.07   0.03
    61   1     0.01  -0.05   0.02    -0.01   0.02   0.02     0.01  -0.02  -0.02
    62   1    -0.02   0.04   0.05    -0.02   0.01   0.03     0.02  -0.01  -0.03
    63   1     0.03  -0.14  -0.03     0.02  -0.08  -0.01    -0.02   0.08   0.01
                     76                     77                     78
                      A                      A                      A
 Frequencies --    866.0888               866.1979               883.6098
 Red. masses --      1.6826                 1.6615                 2.8311
 Frc consts  --      0.7436                 0.7345                 1.3024
 IR Inten    --      6.5753                 0.4193                 2.3271
 RamAct Fr= 1--      0.7680                 1.4397                 2.1489
  Dep-P Fr= 1--      0.7428                 0.4288                 0.7371
  Dep-U Fr= 1--      0.8524                 0.6002                 0.8486
 Alpha2 Fr= 1--      0.0001                 0.0096                 0.0005
 Beta2  Fr= 1--      0.1091                 0.1440                 0.3039
 AlphaG Fr= 1--      0.0004                 0.0523                 0.0005
 Gamma2 Fr= 1--      2.7157                -0.3619                 3.6818
 Delta2 Fr= 1--     -0.2506                -0.6703                 1.5020
 Raman1 Fr= 1--       3.072                  5.759                  8.596
 ROA1   Fr= 1--     252.690                -56.197                401.516
 CID1   Fr= 1--      82.261                 -9.759                 46.711
 Raman2 Fr= 1--       1.309                  1.728                  3.647
 ROA2   Fr= 1--      67.182                 -3.324                 76.347
 CID2   Fr= 1--      51.315                 -1.923                 20.933
 Raman3 Fr= 1--       2.618                  3.456                  7.295
 ROA3   Fr= 1--     252.690                -56.197                401.516
 CID3   Fr= 1--      96.506                -16.258                 55.043
 RC180  Fr= 1--       0.705                  0.200                  0.697
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02  -0.03     0.03   0.02   0.02     0.02  -0.01  -0.04
     2   6     0.04   0.02   0.02    -0.03  -0.02  -0.02    -0.05   0.08   0.03
     3   6     0.01  -0.04   0.01    -0.01   0.03  -0.01    -0.02   0.03   0.05
     4   6    -0.03  -0.01  -0.06     0.03   0.01   0.05     0.03   0.01  -0.08
     5   6     0.08  -0.01   0.06    -0.07   0.01  -0.04    -0.06  -0.05   0.10
     6   6    -0.03  -0.00  -0.04     0.02   0.00   0.04     0.02   0.02  -0.08
     7   6     0.00   0.01   0.00    -0.00  -0.01  -0.00     0.01  -0.02   0.01
     8   8    -0.05   0.01   0.01     0.04  -0.01  -0.01     0.05  -0.01   0.02
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   8    -0.01   0.01   0.01     0.01  -0.01  -0.01     0.00  -0.01   0.01
    11   6    -0.00  -0.04  -0.02     0.00   0.03   0.01     0.00   0.03  -0.02
    12   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    13   9    -0.01   0.00  -0.01     0.00  -0.00   0.01     0.01  -0.00   0.01
    14   6     0.03   0.01   0.03    -0.03  -0.01  -0.03    -0.03  -0.03   0.04
    15   6    -0.03  -0.01  -0.01     0.02   0.01   0.00     0.01  -0.00   0.00
    16   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.02  -0.01  -0.02
    17   8    -0.04   0.01  -0.01    -0.05   0.01  -0.01    -0.07   0.02   0.02
    18   6    -0.03  -0.01   0.05    -0.03  -0.01   0.06    -0.04  -0.01  -0.11
    19   6     0.07  -0.01  -0.05     0.08  -0.01  -0.05     0.09   0.07   0.14
    20   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.01   0.03   0.01
    21   6     0.03   0.02  -0.02     0.04   0.02  -0.02     0.08  -0.11   0.04
    22   6     0.01  -0.04  -0.01     0.01  -0.04  -0.01     0.03  -0.04   0.07
    23   6    -0.04  -0.02   0.02    -0.04  -0.02   0.03    -0.03   0.01  -0.05
    24   6    -0.02  -0.00   0.04    -0.03  -0.00   0.04    -0.03  -0.02  -0.11
    25   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.03   0.02  -0.03
    26   6    -0.02  -0.01   0.00    -0.03  -0.01   0.00    -0.01   0.01   0.00
    27   6     0.03   0.01  -0.03     0.03   0.01  -0.03     0.04   0.04   0.06
    28   6    -0.00  -0.03   0.02    -0.00  -0.03   0.02    -0.00  -0.04  -0.03
    29   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   9    -0.01   0.00   0.01    -0.01   0.00   0.01    -0.01   0.00   0.01
    31   8    -0.00   0.01  -0.00    -0.01   0.01  -0.01    -0.00   0.01   0.01
    32   9    -0.01  -0.00  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    33   9     0.01   0.02  -0.00     0.01   0.02  -0.00     0.01   0.02  -0.01
    34   9     0.02   0.02   0.01    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00
    35   9    -0.01  -0.00   0.01     0.01   0.00  -0.00     0.00   0.00  -0.00
    36   1     0.17  -0.17  -0.03     0.20  -0.20  -0.04     0.02  -0.07  -0.03
    37   1    -0.00   0.27  -0.01    -0.00   0.32  -0.02    -0.02  -0.00  -0.11
    38   1    -0.02   0.20  -0.17    -0.03   0.24  -0.20    -0.04   0.13   0.02
    39   1     0.24  -0.16   0.06     0.29  -0.19   0.07    -0.03   0.11   0.01
    40   1     0.11   0.07  -0.04     0.13   0.08  -0.05     0.12  -0.10   0.09
    41   1     0.00   0.00   0.02     0.00   0.00   0.02     0.02  -0.08  -0.09
    42   1    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01     0.01  -0.08  -0.15
    43   1     0.00  -0.00   0.01     0.00  -0.00   0.01     0.07   0.00   0.14
    44   1    -0.03  -0.01   0.01    -0.04  -0.02   0.01    -0.01  -0.02   0.01
    45   1    -0.02  -0.01   0.01    -0.03  -0.01   0.01    -0.02  -0.02   0.02
    46   1    -0.01  -0.00   0.01    -0.01  -0.00   0.02     0.05   0.01   0.01
    47   1     0.00  -0.17   0.09     0.00  -0.20   0.11    -0.12   0.04  -0.15
    48   1    -0.08   0.16  -0.02    -0.09   0.19  -0.02    -0.13   0.26  -0.25
    49   1    -0.08   0.07   0.01    -0.10   0.07   0.02     0.02  -0.46   0.10
    50   1    -0.01  -0.00   0.01     0.00   0.00  -0.01    -0.00   0.05  -0.11
    51   1     0.00   0.00  -0.02    -0.00  -0.00   0.02    -0.01   0.06  -0.06
    52   1     0.00  -0.00  -0.01    -0.00   0.00   0.01    -0.05  -0.00   0.10
    53   1    -0.01  -0.00  -0.02     0.01   0.00   0.01    -0.03  -0.01   0.01
    54   1    -0.03  -0.01  -0.01     0.02   0.01   0.01     0.02   0.01   0.02
    55   1    -0.03  -0.02  -0.01     0.03   0.01   0.01     0.01   0.01   0.01
    56   1    -0.03   0.24   0.21     0.02  -0.21  -0.17     0.03  -0.09   0.01
    57   1     0.29  -0.19  -0.08    -0.24   0.16   0.06     0.02  -0.08   0.01
    58   1    -0.00   0.32   0.02     0.00  -0.27  -0.01     0.02   0.00  -0.07
    59   1     0.20  -0.20   0.04    -0.17   0.17  -0.03    -0.01   0.05  -0.02
    60   1     0.13   0.08   0.04    -0.11  -0.07  -0.04    -0.09   0.07   0.06
    61   1    -0.09   0.19   0.02     0.08  -0.16  -0.02     0.09  -0.18  -0.17
    62   1     0.00  -0.20  -0.11    -0.00   0.17   0.09     0.09  -0.03  -0.10
    63   1    -0.10   0.08  -0.02     0.08  -0.06   0.01    -0.01   0.32   0.07
                     79                     80                     81
                      A                      A                      A
 Frequencies --    883.8071               904.6125               904.7009
 Red. masses --      2.8365                 2.9155                 2.9145
 Frc consts  --      1.3054                 1.4057                 1.4055
 IR Inten    --      4.3824                 1.0700                 1.5170
 RamAct Fr= 1--      4.3180                20.1397                 5.7292
  Dep-P Fr= 1--      0.7497                 0.0474                 0.3456
  Dep-U Fr= 1--      0.8569                 0.0905                 0.5137
 Alpha2 Fr= 1--      0.0000                 0.4003                 0.0510
 Beta2  Fr= 1--      0.6167                 0.3036                 0.4905
 AlphaG Fr= 1--     -0.0000                 0.2175                 0.0302
 Gamma2 Fr= 1--     -4.8204                -5.5216                 2.7401
 Delta2 Fr= 1--     -1.6433                -1.7958                 1.3715
 Raman1 Fr= 1--      17.272                 80.559                 22.917
 ROA1   Fr= 1--    -515.340               -587.544                306.933
 CID1   Fr= 1--     -29.837                 -7.293                 13.393
 Raman2 Fr= 1--       7.401                  3.644                  5.886
 ROA2   Fr= 1--    -102.543               -118.153                 54.790
 CID2   Fr= 1--     -13.856                -32.428                  9.309
 Raman3 Fr= 1--      14.801                  7.287                 11.772
 ROA3   Fr= 1--    -515.340               -587.544                306.933
 CID3   Fr= 1--     -34.818                -80.629                 26.074
 RC180  Fr= 1--       0.714                 -0.819                  0.027
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.03  -0.01  -0.05     0.05  -0.04  -0.06    -0.10   0.07   0.12
     2   6    -0.08   0.11   0.04    -0.00  -0.10   0.06     0.01   0.21  -0.14
     3   6    -0.03   0.04   0.07    -0.00   0.01  -0.01     0.01  -0.02   0.03
     4   6     0.05   0.01  -0.11     0.00   0.01   0.02    -0.00  -0.02  -0.03
     5   6    -0.09  -0.07   0.14     0.00  -0.00   0.00    -0.00   0.01   0.00
     6   6     0.03   0.03  -0.11    -0.04   0.09  -0.02     0.08  -0.18   0.04
     7   6     0.02  -0.03   0.01    -0.01   0.01  -0.01     0.02  -0.02   0.02
     8   8     0.07  -0.02   0.02    -0.00  -0.00  -0.00     0.01   0.00   0.00
     9  29    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.00  -0.01   0.01     0.01  -0.00  -0.00    -0.02   0.00   0.00
    11   6    -0.00   0.04  -0.03     0.00   0.01   0.01    -0.01  -0.02  -0.01
    12   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.01
    13   9     0.01  -0.00   0.01     0.00   0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.04  -0.04   0.06     0.00  -0.01   0.01    -0.00   0.01  -0.01
    15   6     0.01  -0.01   0.00     0.01   0.01  -0.00    -0.02  -0.02   0.00
    16   6     0.03  -0.02  -0.03    -0.01   0.01   0.01     0.02  -0.02  -0.01
    17   8     0.05  -0.02  -0.02     0.01   0.00  -0.00     0.00   0.00  -0.00
    18   6     0.03   0.01   0.08    -0.01  -0.02   0.03    -0.00  -0.01   0.02
    19   6    -0.06  -0.05  -0.10    -0.00   0.01   0.00    -0.00   0.00  -0.00
    20   6     0.01  -0.02  -0.01     0.02  -0.02  -0.02     0.01  -0.01  -0.01
    21   6    -0.05   0.08  -0.03     0.01   0.21   0.14     0.00   0.10   0.07
    22   6    -0.02   0.03  -0.05     0.01  -0.02  -0.03     0.00  -0.01  -0.01
    23   6     0.02  -0.01   0.04    -0.10   0.07  -0.12    -0.05   0.04  -0.06
    24   6     0.02   0.02   0.08     0.08  -0.18  -0.04     0.04  -0.09  -0.02
    25   6     0.02  -0.01   0.02     0.02  -0.02   0.01     0.01  -0.01   0.01
    26   6     0.01  -0.00  -0.00    -0.02  -0.02  -0.00    -0.01  -0.01  -0.00
    27   6    -0.03  -0.03  -0.04    -0.00   0.01   0.01    -0.00   0.00   0.00
    28   6    -0.00   0.03   0.02    -0.01  -0.02   0.01    -0.00  -0.01   0.01
    29   6     0.00   0.00   0.00     0.00  -0.00  -0.01     0.00  -0.00  -0.00
    30   9     0.01  -0.00  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00  -0.01  -0.01    -0.02   0.00  -0.00    -0.01   0.00  -0.00
    32   9     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.01  -0.01   0.00     0.01   0.01  -0.00     0.00   0.00  -0.00
    34   9    -0.01  -0.02  -0.01    -0.00  -0.00  -0.00     0.01   0.01   0.00
    35   9     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.01   0.05   0.02     0.10  -0.22   0.11     0.05  -0.10   0.05
    37   1     0.02   0.00   0.08     0.12  -0.30   0.02     0.06  -0.14   0.01
    38   1     0.03  -0.09  -0.01    -0.09  -0.03  -0.22    -0.04  -0.02  -0.10
    39   1     0.02  -0.08  -0.01    -0.06   0.03  -0.13    -0.03   0.02  -0.06
    40   1    -0.09   0.07  -0.06     0.20   0.25   0.47     0.10   0.12   0.22
    41   1    -0.01   0.06   0.06    -0.02   0.08   0.01    -0.01   0.04   0.00
    42   1    -0.00   0.05   0.10     0.02   0.09   0.17     0.01   0.04   0.08
    43   1    -0.05  -0.00  -0.10    -0.05   0.02  -0.16    -0.02   0.01  -0.08
    44   1     0.01   0.01  -0.01    -0.08  -0.02   0.02    -0.04  -0.01   0.01
    45   1     0.02   0.01  -0.02     0.03   0.01   0.02     0.01   0.01   0.01
    46   1    -0.03  -0.01  -0.01    -0.01   0.01   0.03    -0.01   0.00   0.01
    47   1     0.09  -0.03   0.10    -0.03   0.08  -0.07    -0.01   0.04  -0.03
    48   1     0.09  -0.18   0.17     0.00  -0.00  -0.05     0.00  -0.00  -0.02
    49   1    -0.01   0.32  -0.07     0.03  -0.09   0.00     0.01  -0.04   0.00
    50   1    -0.01   0.08  -0.15    -0.01  -0.04   0.08     0.02   0.09  -0.17
    51   1    -0.02   0.08  -0.09     0.01  -0.04   0.00    -0.02   0.08  -0.01
    52   1    -0.07  -0.00   0.14     0.02  -0.01  -0.08    -0.05   0.02   0.16
    53   1    -0.05  -0.01   0.01     0.01  -0.00   0.01    -0.01   0.01  -0.03
    54   1     0.02   0.02   0.02    -0.01  -0.01   0.01     0.03   0.01  -0.02
    55   1     0.01   0.02   0.01     0.04   0.01   0.01    -0.08  -0.02  -0.02
    56   1     0.04  -0.13   0.01     0.04   0.01  -0.10    -0.09  -0.03   0.22
    57   1     0.03  -0.11   0.01     0.03  -0.01  -0.06    -0.06   0.03   0.13
    58   1     0.02   0.00  -0.11    -0.05   0.14   0.01     0.12  -0.30  -0.02
    59   1    -0.02   0.07  -0.03    -0.05   0.11   0.05     0.10  -0.22  -0.11
    60   1    -0.12   0.10   0.09    -0.10  -0.12   0.22     0.20   0.25  -0.47
    61   1     0.13  -0.26  -0.25     0.00  -0.00  -0.03     0.00  -0.00   0.05
    62   1     0.12  -0.04  -0.15     0.01  -0.04  -0.03    -0.03   0.08   0.07
    63   1    -0.02   0.46   0.10    -0.01   0.05   0.00     0.03  -0.09  -0.00
                     82                     83                     84
                      A                      A                      A
 Frequencies --    934.3990               934.4239               953.8921
 Red. masses --      2.3325                 2.3319                 1.9979
 Frc consts  --      1.1999                 1.1996                 1.0711
 IR Inten    --      3.3497                21.6825                 1.8123
 RamAct Fr= 1--      3.3374                 2.5991                 1.6808
  Dep-P Fr= 1--      0.0703                 0.5856                 0.7136
  Dep-U Fr= 1--      0.1313                 0.7386                 0.8329
 Alpha2 Fr= 1--      0.0628                 0.0080                 0.0011
 Beta2  Fr= 1--      0.0730                 0.3200                 0.2333
 AlphaG Fr= 1--     -0.1136                -0.0152                 0.0230
 Gamma2 Fr= 1--     -1.4440                 1.3211                 0.2619
 Delta2 Fr= 1--     -0.6764                 1.8769                 0.6405
 Raman1 Fr= 1--      13.350                 10.396                  6.723
 ROA1   Fr= 1--    -160.264                186.884                 45.641
 CID1   Fr= 1--     -12.005                 17.976                  6.789
 Raman2 Fr= 1--       0.877                  3.840                  2.800
 ROA2   Fr= 1--     -29.244                 16.691                  1.162
 CID2   Fr= 1--     -33.362                  4.347                  0.415
 Raman3 Fr= 1--       1.753                  7.679                  5.599
 ROA3   Fr= 1--    -160.264                186.884                 45.641
 CID3   Fr= 1--     -91.416                 24.336                  8.151
 RC180  Fr= 1--      -0.737                  0.477                  0.666
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03   0.00   0.05     0.07  -0.01  -0.11    -0.00   0.02  -0.02
     2   6     0.04  -0.07  -0.04    -0.09   0.15   0.08    -0.01  -0.02   0.01
     3   6     0.03   0.01  -0.00    -0.06  -0.02   0.00    -0.01   0.00  -0.00
     4   6    -0.00   0.01   0.00     0.01  -0.03  -0.01     0.00  -0.00  -0.00
     5   6    -0.01  -0.01   0.03     0.03   0.02  -0.06    -0.00  -0.00  -0.00
     6   6     0.02   0.02  -0.04    -0.05  -0.04   0.09     0.00  -0.02  -0.01
     7   6    -0.01   0.02   0.00     0.02  -0.05  -0.01     0.03   0.01   0.06
     8   8    -0.02   0.01  -0.00     0.04  -0.01   0.00    -0.00  -0.00   0.00
     9  29    -0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8    -0.01  -0.01  -0.00     0.01   0.03   0.00     0.00   0.00   0.00
    11   6    -0.00   0.03   0.01     0.00  -0.07  -0.01    -0.00  -0.00  -0.00
    12   6    -0.01   0.01   0.00     0.02  -0.02  -0.01     0.00  -0.00  -0.00
    13   9     0.01  -0.00   0.01    -0.01   0.01  -0.01    -0.00   0.00  -0.00
    14   6    -0.00  -0.02   0.02     0.01   0.03  -0.05    -0.01   0.01  -0.01
    15   6    -0.01   0.02   0.00     0.03  -0.05  -0.01    -0.03  -0.02   0.03
    16   6    -0.00   0.01   0.00     0.01  -0.03  -0.00     0.04   0.03  -0.03
    17   8     0.04  -0.01  -0.00     0.02  -0.00  -0.00     0.00   0.00   0.00
    18   6     0.01  -0.03   0.01     0.00  -0.02   0.00    -0.00   0.01  -0.00
    19   6     0.03   0.02   0.06     0.01   0.01   0.03     0.01   0.01  -0.01
    20   6     0.02  -0.05   0.01     0.01  -0.02   0.00    -0.07  -0.02   0.15
    21   6    -0.09   0.15  -0.08    -0.04   0.07  -0.04     0.03   0.05   0.04
    22   6    -0.06  -0.02  -0.00    -0.03  -0.01  -0.00     0.02  -0.00  -0.00
    23   6     0.07  -0.01   0.11     0.03  -0.00   0.05     0.00  -0.05  -0.05
    24   6    -0.05  -0.04  -0.09    -0.02  -0.02  -0.04    -0.01   0.04  -0.02
    25   6     0.01  -0.03   0.01     0.00  -0.01   0.00    -0.09  -0.07  -0.08
    26   6     0.03  -0.05   0.01     0.01  -0.02   0.00     0.08   0.04   0.08
    27   6     0.01   0.03   0.05     0.00   0.02   0.02     0.02  -0.01  -0.02
    28   6     0.00  -0.07   0.01     0.00  -0.03   0.01     0.00   0.01  -0.00
    29   6     0.02  -0.02   0.01     0.01  -0.01   0.00    -0.00   0.00  -0.00
    30   9    -0.01   0.01   0.02    -0.00   0.00   0.01     0.00  -0.00  -0.00
    31   8     0.01   0.02  -0.00     0.00   0.01  -0.00    -0.01  -0.00   0.00
    32   9    -0.02   0.00  -0.01    -0.01  -0.00  -0.01     0.00  -0.00   0.00
    33   9     0.02   0.02  -0.01     0.01   0.01  -0.00    -0.00  -0.00   0.00
    34   9    -0.01  -0.01  -0.00     0.02   0.02   0.01     0.00   0.00   0.00
    35   9     0.01  -0.00  -0.01    -0.02   0.00   0.01    -0.00   0.00   0.00
    36   1    -0.06  -0.02  -0.18    -0.03  -0.01  -0.08    -0.03   0.05   0.02
    37   1    -0.06   0.10  -0.15    -0.03   0.05  -0.07    -0.03  -0.03  -0.03
    38   1     0.06   0.08   0.13     0.03   0.04   0.06     0.00  -0.12  -0.05
    39   1     0.05  -0.06   0.07     0.02  -0.03   0.03    -0.04  -0.07  -0.08
    40   1    -0.14   0.20  -0.39    -0.06   0.09  -0.18     0.13   0.15  -0.11
    41   1    -0.02   0.05  -0.04    -0.01   0.02  -0.02    -0.08  -0.05  -0.48
    42   1     0.03   0.07   0.15     0.01   0.03   0.07     0.11   0.07   0.11
    43   1    -0.03   0.02  -0.14    -0.01   0.01  -0.06     0.07   0.07  -0.08
    44   1    -0.06   0.11  -0.02    -0.03   0.05  -0.01     0.48   0.19  -0.13
    45   1     0.24   0.18  -0.05     0.11   0.08  -0.02    -0.10  -0.03  -0.12
    46   1    -0.28  -0.02   0.04    -0.13  -0.01   0.02    -0.15  -0.10  -0.10
    47   1    -0.08   0.15  -0.16    -0.04   0.07  -0.07     0.02  -0.17   0.10
    48   1    -0.03   0.07  -0.15    -0.01   0.03  -0.07    -0.05   0.08   0.03
    49   1     0.06  -0.29   0.04     0.03  -0.13   0.02    -0.07   0.08   0.01
    50   1    -0.01  -0.03   0.07     0.03   0.07  -0.15    -0.04  -0.03   0.04
    51   1     0.01  -0.02  -0.02    -0.02   0.05   0.04     0.03   0.02  -0.19
    52   1     0.01  -0.01  -0.06    -0.03   0.02   0.14    -0.03  -0.03  -0.03
    53   1     0.13   0.01   0.02    -0.28  -0.02  -0.04     0.06   0.04  -0.04
    54   1    -0.11  -0.08  -0.02     0.24   0.18   0.05     0.04   0.01  -0.05
    55   1     0.03  -0.05  -0.01    -0.06   0.11   0.02    -0.19  -0.08  -0.05
    56   1    -0.03  -0.04   0.06     0.06   0.08  -0.13    -0.00   0.05  -0.02
    57   1    -0.02   0.03   0.03     0.05  -0.06  -0.07     0.02   0.03  -0.03
    58   1     0.03  -0.05  -0.07    -0.06   0.10   0.15     0.01   0.01  -0.01
    59   1     0.03   0.01  -0.08    -0.06  -0.02   0.18     0.01  -0.02   0.01
    60   1     0.06  -0.09  -0.18    -0.14   0.20   0.39    -0.05  -0.06  -0.04
    61   1     0.01  -0.03  -0.07    -0.03   0.07   0.15     0.02  -0.03   0.01
    62   1     0.04  -0.07  -0.07    -0.08   0.15   0.16    -0.01   0.07   0.04
    63   1    -0.03   0.13   0.02     0.06  -0.29  -0.04     0.03  -0.03   0.01
                     85                     86                     87
                      A                      A                      A
 Frequencies --    953.9033               961.3740               961.3922
 Red. masses --      1.9971                 1.3964                 1.3965
 Frc consts  --      1.0707                 0.7604                 0.7605
 IR Inten    --      3.2777                 0.5527                 0.3082
 RamAct Fr= 1--      2.9512                 1.4588                 3.3669
  Dep-P Fr= 1--      0.7463                 0.7499                 0.7499
  Dep-U Fr= 1--      0.8547                 0.8571                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0000                 0.0000
 Beta2  Fr= 1--      0.4204                 0.2084                 0.4810
 AlphaG Fr= 1--      0.0040                -0.0003                -0.0008
 Gamma2 Fr= 1--     -0.4198                -0.2950                 0.6674
 Delta2 Fr= 1--      0.9774                -0.6956                -0.1265
 Raman1 Fr= 1--      11.805                  5.835                 13.468
 ROA1   Fr= 1--      -9.028                -50.584                 60.023
 CID1   Fr= 1--      -0.765                 -8.669                  4.457
 Raman2 Fr= 1--       5.045                  2.501                  5.771
 ROA2   Fr= 1--     -17.895                 -1.516                 17.030
 CID2   Fr= 1--      -3.547                 -0.606                  2.951
 Raman3 Fr= 1--      10.090                  5.001                 11.543
 ROA3   Fr= 1--      -9.028                -50.584                 60.023
 CID3   Fr= 1--      -0.895                -10.114                  5.200
 RC180  Fr= 1--       0.709                  0.714                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.05  -0.05    -0.00   0.00  -0.00     0.00  -0.02   0.00
     2   6    -0.03  -0.05   0.04    -0.00  -0.00   0.00     0.01   0.00  -0.01
     3   6    -0.02   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     5   6    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.01  -0.04  -0.02     0.00  -0.00   0.00    -0.01   0.01  -0.00
     7   6     0.07   0.02   0.15     0.02   0.01  -0.01    -0.07  -0.03   0.04
     8   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    10   8     0.01   0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.01  -0.00     0.00  -0.00   0.00     0.00   0.01  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6    -0.02   0.01  -0.02    -0.00   0.00  -0.00     0.00  -0.00   0.00
    15   6    -0.08  -0.04   0.08    -0.01  -0.00  -0.02     0.07   0.02   0.08
    16   6     0.09   0.07  -0.08     0.01   0.00   0.02    -0.07  -0.02  -0.09
    17   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.03   0.01  -0.06     0.07   0.03   0.04     0.02   0.01   0.01
    21   6    -0.01  -0.02  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    22   6    -0.01   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.00   0.02   0.02    -0.00   0.01   0.00    -0.00   0.00   0.00
    24   6     0.00  -0.02   0.01     0.01  -0.01  -0.00     0.00  -0.00  -0.00
    25   6     0.04   0.03   0.03     0.07   0.02  -0.09     0.01   0.00  -0.02
    26   6    -0.03  -0.02  -0.03    -0.07  -0.02   0.08    -0.02  -0.00   0.02
    27   6    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    28   6     0.00  -0.00   0.00    -0.00  -0.01  -0.00    -0.00  -0.00   0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.01  -0.02  -0.01    -0.01   0.00  -0.00    -0.00   0.00  -0.00
    37   1     0.01   0.01   0.01     0.01  -0.04   0.00     0.00  -0.01   0.00
    38   1    -0.00   0.05   0.02    -0.00   0.00   0.02    -0.00   0.00   0.00
    39   1     0.02   0.03   0.03    -0.03   0.04   0.01    -0.01   0.01   0.00
    40   1    -0.05  -0.06   0.04    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    41   1     0.03   0.02   0.19     0.02   0.06   0.46     0.01   0.01   0.10
    42   1    -0.04  -0.03  -0.04    -0.26  -0.10  -0.27    -0.06  -0.02  -0.06
    43   1    -0.03  -0.03   0.03    -0.23  -0.17  -0.23    -0.05  -0.04  -0.05
    44   1    -0.19  -0.08   0.05     0.34   0.14  -0.14     0.07   0.03  -0.03
    45   1     0.04   0.01   0.05    -0.29  -0.10  -0.14    -0.06  -0.02  -0.03
    46   1     0.06   0.04   0.04    -0.31  -0.19  -0.13    -0.07  -0.04  -0.03
    47   1    -0.01   0.07  -0.04    -0.01   0.02  -0.02    -0.00   0.00  -0.00
    48   1     0.02  -0.03  -0.01    -0.00   0.01  -0.02    -0.00   0.00  -0.00
    49   1     0.03  -0.03  -0.01     0.01  -0.03   0.00     0.00  -0.01   0.00
    50   1    -0.11  -0.07   0.11    -0.06  -0.02   0.06     0.26   0.10  -0.26
    51   1     0.08   0.05  -0.48     0.01   0.01  -0.10    -0.03  -0.06   0.46
    52   1    -0.06  -0.07  -0.09    -0.05  -0.04   0.05     0.24   0.17  -0.23
    53   1     0.15   0.10  -0.10    -0.07  -0.04   0.03     0.31   0.19  -0.13
    54   1     0.10   0.03  -0.12    -0.06  -0.02   0.03     0.29   0.10  -0.14
    55   1    -0.48  -0.19  -0.13     0.07   0.03   0.03    -0.34  -0.13  -0.14
    56   1    -0.00   0.12  -0.05    -0.00   0.00  -0.00     0.00  -0.00   0.02
    57   1     0.04   0.07  -0.08    -0.01   0.01  -0.00     0.03  -0.04   0.01
    58   1     0.03   0.03  -0.02     0.00  -0.01  -0.00    -0.01   0.04   0.00
    59   1     0.03  -0.05   0.02    -0.00   0.00   0.00     0.01  -0.00  -0.00
    60   1    -0.13  -0.15  -0.11    -0.00  -0.00  -0.00     0.00   0.00   0.00
    61   1     0.05  -0.08   0.03    -0.00   0.00   0.00     0.00  -0.00  -0.02
    62   1    -0.02   0.17   0.10    -0.00   0.00   0.00     0.01  -0.02  -0.02
    63   1     0.07  -0.08   0.01     0.00  -0.01  -0.00    -0.01   0.03   0.00
                     88                     89                     90
                      A                      A                      A
 Frequencies --    978.7393               978.7944              1022.1801
 Red. masses --      2.6010                 2.6022                 1.3730
 Frc consts  --      1.4680                 1.4688                 0.8453
 IR Inten    --      2.4532                 0.6822                 0.3864
 RamAct Fr= 1--      5.4957                 9.3061                 1.8899
  Dep-P Fr= 1--      0.7493                 0.7483                 0.5776
  Dep-U Fr= 1--      0.8567                 0.8560                 0.7323
 Alpha2 Fr= 1--      0.0001                 0.0003                 0.0061
 Beta2  Fr= 1--      0.7847                 1.3277                 0.2306
 AlphaG Fr= 1--      0.0001                -0.0002                 0.0040
 Gamma2 Fr= 1--      2.3838                -3.8631                 1.5777
 Delta2 Fr= 1--     -0.6544                -2.4088                 1.3642
 Raman1 Fr= 1--      21.983                 37.224                  7.560
 ROA1   Fr= 1--     207.903               -447.943                195.110
 CID1   Fr= 1--       9.458                -12.034                 25.809
 Raman2 Fr= 1--       9.416                 15.932                  2.768
 ROA2   Fr= 1--      62.446                -73.445                 26.950
 CID2   Fr= 1--       6.632                 -4.610                  9.737
 Raman3 Fr= 1--      18.832                 31.864                  5.536
 ROA3   Fr= 1--     207.903               -447.943                195.110
 CID3   Fr= 1--      11.040                -14.058                 35.246
 RC180  Fr= 1--       0.713                  0.712                  0.465
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.08  -0.01    -0.02   0.22  -0.03     0.00  -0.00   0.00
     2   6    -0.01  -0.03   0.04    -0.03  -0.08   0.12     0.00   0.00  -0.00
     3   6    -0.01   0.00  -0.00    -0.02   0.00  -0.00     0.00  -0.00   0.00
     4   6     0.00   0.01  -0.01     0.01   0.03  -0.02    -0.00  -0.00  -0.00
     5   6    -0.00  -0.01   0.01    -0.00  -0.04   0.03     0.00  -0.00   0.00
     6   6     0.02  -0.07  -0.02     0.04  -0.19  -0.07    -0.00   0.00   0.00
     7   6    -0.02  -0.01  -0.01    -0.05  -0.02  -0.03     0.00   0.00  -0.00
     8   8     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    10   8     0.00   0.00   0.00     0.01   0.00   0.00    -0.00  -0.00  -0.00
    11   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.01   0.01   0.01     0.02   0.02   0.04     0.00  -0.00   0.00
    15   6     0.02   0.00  -0.01     0.05   0.01  -0.03     0.00  -0.01  -0.00
    16   6    -0.02   0.01  -0.00    -0.04   0.02  -0.00    -0.00   0.01   0.00
    17   8     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    18   6     0.01   0.03   0.02    -0.01  -0.01  -0.01    -0.01  -0.01   0.02
    19   6    -0.00  -0.04  -0.03     0.00   0.01   0.01     0.00  -0.01  -0.00
    20   6    -0.05  -0.02   0.03     0.02   0.01  -0.01     0.01   0.01   0.00
    21   6    -0.03  -0.08  -0.12     0.01   0.03   0.04     0.00   0.04   0.06
    22   6    -0.02   0.00   0.00     0.01  -0.00  -0.00     0.01  -0.00  -0.02
    23   6    -0.02   0.22   0.03     0.01  -0.08  -0.01     0.04  -0.03  -0.03
    24   6     0.04  -0.19   0.07    -0.02   0.07  -0.02    -0.04   0.01  -0.01
    25   6    -0.04   0.02   0.00     0.02  -0.01  -0.00    -0.04   0.10  -0.02
    26   6     0.05   0.01   0.03    -0.02  -0.00  -0.01     0.03  -0.09   0.01
    27   6     0.02   0.02  -0.04    -0.01  -0.01   0.01     0.00  -0.00  -0.02
    28   6     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    36   1     0.08  -0.20  -0.12    -0.03   0.07   0.04    -0.04   0.01  -0.13
    37   1     0.21  -0.15   0.22    -0.08   0.05  -0.08     0.05   0.03   0.08
    38   1    -0.06   0.33   0.27     0.02  -0.12  -0.10     0.03  -0.12   0.05
    39   1    -0.16   0.32   0.03     0.06  -0.12  -0.01    -0.07  -0.10  -0.13
    40   1    -0.06  -0.08  -0.15     0.02   0.03   0.05     0.01   0.01   0.20
    41   1     0.01  -0.10  -0.14    -0.00   0.04   0.05     0.08  -0.19   0.02
    42   1     0.05  -0.06  -0.09    -0.02   0.02   0.03    -0.04  -0.20  -0.41
    43   1     0.10   0.03   0.22    -0.04  -0.01  -0.08     0.12  -0.02   0.43
    44   1     0.18   0.11  -0.05    -0.06  -0.04   0.02    -0.12   0.16  -0.02
    45   1     0.04   0.04  -0.05    -0.02  -0.02   0.02     0.34   0.24  -0.07
    46   1    -0.10  -0.03  -0.03     0.03   0.01   0.01    -0.39  -0.03   0.06
    47   1    -0.00  -0.14   0.07     0.00   0.05  -0.02     0.03  -0.06   0.06
    48   1    -0.07   0.15  -0.02     0.02  -0.05   0.01    -0.01   0.01   0.04
    49   1    -0.09   0.08  -0.00     0.03  -0.03   0.00    -0.03   0.09  -0.01
    50   1     0.02  -0.02   0.03     0.05  -0.06   0.09    -0.00  -0.02   0.03
    51   1     0.00  -0.04   0.05     0.01  -0.10   0.14     0.01  -0.01  -0.00
    52   1     0.04   0.01  -0.08     0.10   0.03  -0.22     0.01  -0.00  -0.03
    53   1    -0.03  -0.01   0.01    -0.10  -0.03   0.03    -0.03  -0.00  -0.00
    54   1     0.01   0.01   0.02     0.04   0.04   0.05     0.03   0.02   0.01
    55   1     0.06   0.04   0.02     0.18   0.10   0.05    -0.01   0.01   0.00
    56   1    -0.02   0.12  -0.10    -0.06   0.33  -0.27     0.00  -0.01  -0.00
    57   1    -0.06   0.12  -0.01    -0.16   0.32  -0.04    -0.01  -0.01   0.01
    58   1     0.08  -0.05  -0.08     0.21  -0.15  -0.22     0.00   0.00  -0.01
    59   1     0.03  -0.07   0.04     0.08  -0.20   0.12    -0.00   0.00   0.01
    60   1    -0.02  -0.03   0.05    -0.06  -0.08   0.15     0.00   0.00  -0.02
    61   1    -0.03   0.05   0.01    -0.07   0.15   0.02    -0.00   0.00  -0.00
    62   1    -0.00  -0.05  -0.02    -0.00  -0.14  -0.07     0.00  -0.00  -0.00
    63   1    -0.03   0.03   0.00    -0.09   0.08   0.00    -0.00   0.01   0.00
                     91                     92                     93
                      A                      A                      A
 Frequencies --   1022.2045              1030.3259              1030.4282
 Red. masses --      1.3729                 1.5938                 1.5916
 Frc consts  --      0.8452                 0.9969                 0.9957
 IR Inten    --      0.4102                 2.5147                12.2736
 RamAct Fr= 1--      2.0046                 3.7825                 1.2357
  Dep-P Fr= 1--      0.5259                 0.7492                 0.7491
  Dep-U Fr= 1--      0.6893                 0.8566                 0.8566
 Alpha2 Fr= 1--      0.0087                 0.0001                 0.0000
 Beta2  Fr= 1--      0.2303                 0.5400                 0.1764
 AlphaG Fr= 1--      0.0050                -0.0018                -0.0004
 Gamma2 Fr= 1--      1.3598                 2.5216                -4.7719
 Delta2 Fr= 1--      1.2440                 2.6402                -2.4531
 Raman1 Fr= 1--       8.018                 15.130                  4.943
 ROA1   Fr= 1--     170.349                326.556               -536.606
 CID1   Fr= 1--      21.245                 21.583               -108.564
 Raman2 Fr= 1--       2.764                  6.480                  2.117
 ROA2   Fr= 1--      22.683                 39.395                -94.902
 CID2   Fr= 1--       8.208                  6.079                -44.830
 Raman3 Fr= 1--       5.527                 12.961                  4.234
 ROA3   Fr= 1--     170.349                326.556               -536.606
 CID3   Fr= 1--      30.821                 25.196               -126.741
 RC180  Fr= 1--       0.379                  0.713                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04   0.03  -0.03     0.05  -0.00   0.03     0.08  -0.00   0.05
     2   6    -0.00  -0.04   0.06    -0.01   0.01  -0.02    -0.02   0.02  -0.04
     3   6    -0.01   0.00  -0.02    -0.03  -0.00   0.02    -0.05  -0.01   0.03
     4   6     0.01   0.01   0.02     0.01   0.01  -0.01     0.01   0.02  -0.02
     5   6    -0.00   0.01  -0.00    -0.00  -0.01  -0.00    -0.00  -0.01  -0.01
     6   6     0.04  -0.01  -0.01    -0.05  -0.00  -0.02    -0.09  -0.00  -0.03
     7   6    -0.01  -0.01   0.00     0.01  -0.01   0.00     0.01  -0.01   0.01
     8   8     0.00  -0.00  -0.00     0.01  -0.01   0.00     0.02  -0.01   0.00
     9  29    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.02   0.00
    11   6     0.00  -0.01   0.00     0.00  -0.03  -0.01     0.00  -0.05  -0.01
    12   6     0.00  -0.00  -0.00     0.01  -0.02  -0.00     0.01  -0.02  -0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.01    -0.01   0.01  -0.01
    14   6    -0.00   0.00  -0.02     0.04   0.01   0.01     0.06   0.02   0.01
    15   6    -0.03   0.09   0.01    -0.01   0.03   0.01    -0.02   0.04   0.02
    16   6     0.04  -0.10  -0.02     0.01  -0.01  -0.00     0.02  -0.01  -0.00
    17   8    -0.00   0.00  -0.00    -0.02   0.01   0.00     0.01  -0.01  -0.00
    18   6    -0.00  -0.00   0.00    -0.01  -0.02  -0.02     0.01   0.01   0.01
    19   6     0.00  -0.00  -0.00     0.00   0.01  -0.01    -0.00  -0.01   0.00
    20   6     0.00   0.00   0.00    -0.01   0.01   0.01     0.01  -0.01  -0.00
    21   6     0.00   0.00   0.00     0.02  -0.02  -0.04    -0.01   0.01   0.02
    22   6     0.00  -0.00  -0.00     0.05   0.01   0.03    -0.03  -0.00  -0.02
    23   6     0.00  -0.00  -0.00    -0.08   0.00   0.05     0.05  -0.00  -0.03
    24   6    -0.00   0.00  -0.00     0.09   0.00  -0.03    -0.05  -0.00   0.02
    25   6    -0.00   0.01  -0.00    -0.02   0.01  -0.00     0.01  -0.01   0.00
    26   6     0.00  -0.01   0.00     0.02  -0.04   0.02    -0.01   0.03  -0.01
    27   6     0.00  -0.00  -0.00    -0.06  -0.02   0.01     0.04   0.01  -0.01
    28   6     0.00   0.00   0.00    -0.01   0.05  -0.01     0.00  -0.03   0.01
    29   6    -0.00   0.00  -0.00    -0.01   0.03  -0.00     0.01  -0.01   0.00
    30   9     0.00  -0.00  -0.00     0.01  -0.01  -0.01    -0.00   0.00   0.01
    31   8    -0.00  -0.00   0.00    -0.01  -0.02   0.00     0.00   0.01  -0.00
    32   9     0.00  -0.00   0.00     0.01  -0.00   0.01    -0.01   0.00  -0.00
    33   9    -0.00  -0.00   0.00    -0.01  -0.01   0.00     0.00   0.01  -0.00
    34   9     0.00   0.00   0.00     0.00   0.01   0.00     0.01   0.01   0.00
    35   9    -0.00   0.00   0.00    -0.01   0.00   0.00    -0.01   0.00   0.01
    36   1    -0.00   0.00  -0.01     0.09  -0.03   0.35    -0.05   0.02  -0.20
    37   1     0.00   0.00   0.01    -0.13  -0.09  -0.23     0.07   0.06   0.13
    38   1     0.00  -0.01   0.00    -0.06   0.13  -0.22     0.03  -0.08   0.13
    39   1    -0.00  -0.01  -0.01     0.18   0.08   0.23    -0.10  -0.05  -0.14
    40   1     0.00   0.00   0.01     0.13   0.08  -0.17    -0.07  -0.05   0.10
    41   1     0.01  -0.01   0.00     0.00  -0.03  -0.04    -0.00   0.02   0.03
    42   1    -0.00  -0.02  -0.03     0.01  -0.02  -0.05    -0.01   0.01   0.03
    43   1     0.01  -0.00   0.03     0.03   0.01   0.07    -0.02  -0.01  -0.04
    44   1    -0.01   0.01  -0.00    -0.01   0.11  -0.03     0.00  -0.06   0.02
    45   1     0.03   0.02  -0.01     0.15   0.12  -0.06    -0.09  -0.07   0.04
    46   1    -0.03  -0.00   0.00    -0.22  -0.03   0.03     0.13   0.02  -0.02
    47   1     0.00  -0.00   0.00     0.04   0.22  -0.06    -0.02  -0.13   0.03
    48   1    -0.00   0.00   0.00     0.13  -0.27   0.09    -0.07   0.16  -0.05
    49   1    -0.00   0.01  -0.00     0.11   0.07  -0.06    -0.06  -0.04   0.04
    50   1     0.04   0.20  -0.41    -0.01   0.01  -0.03    -0.01   0.02  -0.05
    51   1    -0.08   0.19   0.03    -0.00   0.02  -0.03    -0.00   0.03  -0.04
    52   1    -0.13   0.02   0.43    -0.02  -0.01   0.04    -0.03  -0.01   0.07
    53   1     0.39   0.03   0.06     0.13   0.02   0.02     0.21   0.03   0.03
    54   1    -0.34  -0.24  -0.07    -0.09  -0.07  -0.04    -0.15  -0.12  -0.06
    55   1     0.12  -0.16  -0.02     0.00  -0.06  -0.02     0.01  -0.11  -0.03
    56   1    -0.03   0.12   0.05     0.03  -0.08  -0.13     0.06  -0.13  -0.22
    57   1     0.07   0.10  -0.13    -0.10  -0.05   0.14    -0.18  -0.08   0.23
    58   1    -0.05  -0.03   0.08     0.07   0.06  -0.13     0.13   0.09  -0.23
    59   1     0.04  -0.01  -0.13    -0.05   0.02   0.20    -0.09   0.03   0.35
    60   1    -0.02  -0.01   0.20    -0.07  -0.05  -0.10    -0.12  -0.08  -0.17
    61   1     0.01  -0.01   0.04    -0.07   0.16   0.05    -0.13   0.28   0.09
    62   1    -0.03   0.06   0.06    -0.02  -0.13  -0.03    -0.04  -0.22  -0.06
    63   1     0.03  -0.09  -0.01    -0.06  -0.04  -0.04    -0.11  -0.07  -0.06
                     94                     95                     96
                      A                      A                      A
 Frequencies --   1085.6496              1086.2244              1110.3454
 Red. masses --      3.0674                 2.9269                 1.5604
 Frc consts  --      2.1301                 2.0347                 1.1334
 IR Inten    --    104.5155                 0.5052                 0.5985
 RamAct Fr= 1--      0.1452                 1.5384                 7.4926
  Dep-P Fr= 1--      0.7498                 0.7456                 0.3525
  Dep-U Fr= 1--      0.8570                 0.8543                 0.5213
 Alpha2 Fr= 1--      0.0000                 0.0001                 0.0652
 Beta2  Fr= 1--      0.0207                 0.2190                 0.6510
 AlphaG Fr= 1--      0.0000                -0.0024                 0.0398
 Gamma2 Fr= 1--     -0.6162                 0.8402                 8.8672
 Delta2 Fr= 1--     -0.8224                 0.9417                 3.9683
 Raman1 Fr= 1--       0.581                  6.154                 29.971
 ROA1   Fr= 1--     -85.474                110.791                978.231
 CID1   Fr= 1--    -147.155                 18.004                 32.640
 Raman2 Fr= 1--       0.249                  2.628                  7.812
 ROA2   Fr= 1--      -8.210                 12.630                181.065
 CID2   Fr= 1--     -32.984                  4.805                 23.179
 Raman3 Fr= 1--       0.498                  5.257                 15.624
 ROA3   Fr= 1--     -85.474                110.791                978.231
 CID3   Fr= 1--    -171.701                 21.076                 62.613
 RC180  Fr= 1--       0.714                  0.709                  0.043
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.00   0.03     0.02  -0.00   0.03    -0.03  -0.03  -0.01
     2   6     0.05  -0.02  -0.03     0.05  -0.02  -0.03     0.01  -0.03  -0.02
     3   6    -0.10   0.01   0.01    -0.10   0.01   0.01     0.02  -0.02  -0.01
     4   6     0.05   0.13   0.02     0.05   0.13   0.02     0.02   0.08   0.01
     5   6     0.03   0.06   0.01     0.03   0.06   0.01    -0.06   0.06   0.01
     6   6    -0.00  -0.01   0.01    -0.00  -0.01   0.01    -0.01   0.00   0.00
     7   6     0.01  -0.01  -0.01     0.01  -0.01  -0.01    -0.01   0.03  -0.01
     8   8    -0.01  -0.03  -0.01    -0.01  -0.03  -0.01    -0.01  -0.01  -0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.00   0.04   0.00    -0.00   0.04   0.00    -0.02   0.01   0.00
    11   6     0.01  -0.13  -0.02     0.01  -0.13  -0.02     0.01  -0.04  -0.00
    12   6     0.06  -0.09   0.00     0.06  -0.09   0.00     0.02  -0.03   0.00
    13   9    -0.02   0.02  -0.03    -0.02   0.02  -0.03    -0.01   0.01  -0.01
    14   6    -0.07  -0.06  -0.00    -0.07  -0.06  -0.00     0.04  -0.04   0.01
    15   6    -0.01   0.01  -0.01    -0.01   0.01  -0.01     0.01  -0.03   0.03
    16   6    -0.02   0.01   0.01    -0.02   0.01   0.01     0.03  -0.01   0.01
    17   8    -0.01  -0.04   0.01     0.01   0.03  -0.01     0.01   0.01  -0.00
    18   6     0.05   0.14  -0.02    -0.04  -0.13   0.02    -0.02  -0.07   0.01
    19   6     0.03   0.06  -0.01    -0.03  -0.06   0.01     0.05  -0.05   0.01
    20   6     0.01  -0.01   0.01    -0.01   0.01  -0.01     0.01  -0.03  -0.01
    21   6     0.05  -0.02   0.03    -0.05   0.02  -0.02    -0.01   0.02  -0.01
    22   6    -0.10   0.01  -0.01     0.10  -0.01   0.01    -0.02   0.02  -0.01
    23   6     0.02  -0.00  -0.03    -0.02   0.00   0.03     0.02   0.02  -0.01
    24   6    -0.01  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.00   0.00
    25   6    -0.02   0.01  -0.01     0.02  -0.01   0.01    -0.02   0.01   0.01
    26   6    -0.01   0.01   0.01     0.01  -0.01  -0.01    -0.01   0.03   0.02
    27   6    -0.07  -0.06   0.00     0.07   0.05  -0.00    -0.03   0.04   0.01
    28   6     0.01  -0.14   0.02    -0.01   0.13  -0.02    -0.01   0.03  -0.00
    29   6     0.06  -0.10  -0.00    -0.06   0.09   0.00    -0.02   0.02   0.00
    30   9    -0.02   0.02   0.03     0.02  -0.02  -0.03     0.01  -0.01  -0.01
    31   8    -0.00   0.04  -0.00     0.00  -0.03   0.00     0.01  -0.01   0.00
    32   9    -0.03   0.01  -0.02     0.02  -0.01   0.02     0.01  -0.00   0.00
    33   9     0.02   0.04  -0.01    -0.02  -0.04   0.01    -0.00  -0.01   0.00
    34   9     0.02   0.04   0.01     0.02   0.04   0.01     0.00   0.01   0.00
    35   9    -0.03   0.01   0.02    -0.03   0.01   0.02    -0.01   0.00   0.01
    36   1     0.13  -0.14   0.13    -0.13   0.14  -0.13     0.08  -0.08   0.09
    37   1    -0.04   0.07  -0.06     0.04  -0.07   0.07    -0.11   0.14  -0.16
    38   1    -0.01   0.21   0.18     0.01  -0.21  -0.18     0.00   0.10   0.12
    39   1    -0.01  -0.10  -0.11     0.01   0.10   0.11    -0.00  -0.21  -0.17
    40   1     0.11   0.01   0.03    -0.10  -0.01  -0.03    -0.17  -0.14   0.19
    41   1     0.00  -0.04  -0.05    -0.00   0.04   0.05     0.00  -0.04  -0.06
    42   1     0.02  -0.02  -0.04    -0.02   0.02   0.04     0.04  -0.01  -0.01
    43   1     0.03   0.01   0.06    -0.03  -0.01  -0.06     0.05   0.02   0.10
    44   1     0.04  -0.00  -0.01    -0.04   0.00   0.01     0.12  -0.00  -0.02
    45   1    -0.04  -0.02   0.00     0.04   0.02  -0.00    -0.13  -0.07  -0.01
    46   1     0.01  -0.01  -0.01    -0.01   0.01   0.01     0.03  -0.03  -0.05
    47   1     0.09   0.14   0.02    -0.08  -0.14  -0.02    -0.01   0.17  -0.08
    48   1     0.15  -0.35   0.17    -0.14   0.33  -0.16     0.03  -0.05  -0.03
    49   1     0.10   0.14  -0.08    -0.09  -0.14   0.07     0.06   0.00  -0.03
    50   1     0.02  -0.02   0.04     0.02  -0.02   0.04    -0.04   0.02  -0.02
    51   1     0.00  -0.04   0.05     0.00  -0.04   0.05    -0.00   0.05  -0.08
    52   1     0.03   0.01  -0.06     0.03   0.01  -0.06    -0.06  -0.03   0.12
    53   1     0.00  -0.01   0.01     0.01  -0.01   0.01    -0.04   0.04  -0.06
    54   1    -0.04  -0.02  -0.00    -0.04  -0.02  -0.00     0.16   0.09  -0.01
    55   1     0.03  -0.00   0.01     0.04  -0.00   0.01    -0.15   0.00  -0.03
    56   1    -0.01   0.20  -0.17    -0.01   0.22  -0.18    -0.01  -0.13   0.16
    57   1    -0.01  -0.10   0.10    -0.01  -0.11   0.11     0.01   0.27  -0.22
    58   1    -0.03   0.07   0.06    -0.04   0.07   0.07     0.14  -0.17  -0.20
    59   1     0.12  -0.14  -0.12     0.13  -0.15  -0.13    -0.10   0.10   0.11
    60   1     0.11   0.01  -0.03     0.11   0.01  -0.03     0.22   0.17   0.23
    61   1     0.14  -0.34  -0.16     0.14  -0.35  -0.17    -0.04   0.06  -0.04
    62   1     0.08   0.14  -0.02     0.08   0.14  -0.02     0.02  -0.21  -0.10
    63   1     0.09   0.13   0.07     0.10   0.14   0.08    -0.08  -0.00  -0.04
                     97                     98                     99
                      A                      A                      A
 Frequencies --   1110.3815              1121.8957              1122.6327
 Red. masses --      1.5376                 6.1422                 6.2567
 Frc consts  --      1.1169                 4.5549                 4.6459
 IR Inten    --     47.9716                 5.3856               371.6727
 RamAct Fr= 1--      3.2496                 3.7733                 4.2563
  Dep-P Fr= 1--      0.7375                 0.7499                 0.3387
  Dep-U Fr= 1--      0.8490                 0.8571                 0.5060
 Alpha2 Fr= 1--      0.0007                 0.0000                 0.0388
 Beta2  Fr= 1--      0.4598                 0.5390                 0.3589
 AlphaG Fr= 1--      0.0004                 0.0001                 0.2642
 Gamma2 Fr= 1--    -13.2902                 3.4036                 0.0713
 Delta2 Fr= 1--     -2.8499                -0.5621                -2.9271
 Raman1 Fr= 1--      12.998                 15.093                 17.025
 ROA1   Fr= 1--   -1367.051                308.757                -86.818
 CID1   Fr= 1--    -105.172                 20.456                 -5.099
 Raman2 Fr= 1--       5.517                  6.468                  4.307
 ROA2   Fr= 1--    -296.165                 86.183                 25.129
 CID2   Fr= 1--     -53.678                 13.324                  5.834
 Raman3 Fr= 1--      11.035                 12.937                  8.614
 ROA3   Fr= 1--   -1367.051                308.757                -86.818
 CID3   Fr= 1--    -123.884                 23.867                -10.078
 RC180  Fr= 1--       0.698                  0.714                  0.012
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.03  -0.02  -0.01    -0.01   0.01  -0.04    -0.01   0.01  -0.03
     2   6     0.00  -0.02  -0.01    -0.01  -0.01   0.05    -0.01  -0.01   0.04
     3   6     0.02  -0.02  -0.01     0.02  -0.01   0.01     0.01  -0.01   0.01
     4   6     0.02   0.06   0.00     0.01   0.04  -0.00     0.01   0.05  -0.00
     5   6    -0.05   0.05   0.01    -0.02  -0.03   0.07    -0.02  -0.03   0.07
     6   6    -0.01   0.00   0.00     0.03   0.00  -0.03     0.03   0.00  -0.03
     7   6    -0.00   0.03  -0.01    -0.02  -0.03   0.02    -0.02  -0.03   0.02
     8   8    -0.01  -0.01  -0.00    -0.01  -0.00   0.00    -0.01  -0.01   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    10   8    -0.01   0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    11   6     0.01  -0.03  -0.00     0.01   0.00  -0.06     0.01  -0.00  -0.06
    12   6     0.02  -0.02   0.00    -0.03  -0.08   0.40    -0.03  -0.07   0.39
    13   9    -0.01   0.01  -0.01    -0.05   0.04  -0.11    -0.05   0.04  -0.11
    14   6     0.03  -0.03   0.01     0.01   0.02  -0.05     0.01   0.02  -0.05
    15   6     0.01  -0.03   0.02     0.01   0.01  -0.02     0.01   0.01  -0.02
    16   6     0.02  -0.01   0.01    -0.01   0.01  -0.02    -0.01   0.01  -0.02
    17   8    -0.01  -0.01   0.00    -0.01  -0.00  -0.00     0.01   0.01   0.00
    18   6     0.02   0.08  -0.01     0.01   0.04   0.00    -0.01  -0.05  -0.00
    19   6    -0.06   0.06  -0.01    -0.02  -0.03  -0.06     0.02   0.03   0.07
    20   6    -0.01   0.03   0.01    -0.02  -0.03  -0.02     0.02   0.03   0.02
    21   6     0.01  -0.02   0.02    -0.01  -0.01  -0.04     0.01   0.01   0.04
    22   6     0.02  -0.02   0.01     0.02  -0.01  -0.01    -0.01   0.01   0.01
    23   6    -0.03  -0.03   0.01    -0.01   0.01   0.03     0.01  -0.01  -0.04
    24   6    -0.01   0.00  -0.00     0.03   0.00   0.03    -0.03  -0.00  -0.03
    25   6     0.03  -0.01  -0.01    -0.01   0.01   0.02     0.01  -0.01  -0.02
    26   6     0.01  -0.03  -0.03     0.01   0.01   0.02    -0.01  -0.01  -0.02
    27   6     0.04  -0.04  -0.01     0.01   0.02   0.05    -0.01  -0.02  -0.05
    28   6     0.01  -0.04   0.00     0.01   0.00   0.06    -0.01   0.00  -0.06
    29   6     0.02  -0.03  -0.01    -0.03  -0.07  -0.39     0.03   0.08   0.41
    30   9    -0.01   0.01   0.01    -0.05   0.04   0.11     0.05  -0.04  -0.11
    31   8    -0.02   0.01  -0.00    -0.00  -0.00  -0.01     0.00   0.00   0.01
    32   9    -0.01   0.00  -0.00     0.06  -0.00   0.09    -0.07   0.00  -0.09
    33   9     0.00   0.01  -0.00    -0.00   0.00   0.03     0.00  -0.00  -0.03
    34   9     0.00   0.01   0.00    -0.00   0.00  -0.03    -0.00   0.00  -0.03
    35   9    -0.01   0.00   0.00     0.07  -0.00  -0.09     0.06  -0.00  -0.09
    36   1    -0.10   0.10  -0.12    -0.12   0.15  -0.10     0.12  -0.16   0.10
    37   1     0.14  -0.17   0.20    -0.05   0.01  -0.05     0.05  -0.01   0.05
    38   1    -0.00  -0.14  -0.16     0.01  -0.12  -0.11    -0.01   0.13   0.12
    39   1     0.01   0.27   0.22     0.05  -0.11  -0.02    -0.05   0.11   0.01
    40   1     0.21   0.17  -0.23     0.14   0.03   0.17    -0.16  -0.04  -0.17
    41   1    -0.00   0.05   0.08     0.01  -0.02  -0.01    -0.01   0.02   0.01
    42   1    -0.04   0.02   0.02     0.02  -0.01  -0.01    -0.02   0.01   0.02
    43   1    -0.06  -0.03  -0.12     0.04   0.02   0.09    -0.04  -0.02  -0.09
    44   1    -0.15   0.00   0.03     0.10   0.03  -0.02    -0.10  -0.03   0.02
    45   1     0.16   0.09   0.01    -0.05  -0.02  -0.03     0.05   0.02   0.03
    46   1    -0.04   0.04   0.06    -0.01  -0.03  -0.04     0.01   0.03   0.04
    47   1     0.02  -0.21   0.10    -0.09   0.09  -0.12     0.09  -0.09   0.12
    48   1    -0.04   0.07   0.03    -0.01   0.03  -0.13     0.01  -0.03   0.14
    49   1    -0.08  -0.01   0.04     0.05  -0.22   0.04    -0.06   0.23  -0.05
    50   1    -0.03   0.01  -0.02     0.02  -0.01   0.02     0.02  -0.01   0.01
    51   1    -0.00   0.04  -0.06     0.01  -0.03   0.01     0.01  -0.02   0.01
    52   1    -0.05  -0.02   0.09     0.04   0.02  -0.09     0.04   0.02  -0.08
    53   1    -0.04   0.03  -0.05    -0.01  -0.03   0.04    -0.01  -0.03   0.03
    54   1     0.13   0.07  -0.01    -0.05  -0.02   0.03    -0.05  -0.02   0.03
    55   1    -0.12   0.00  -0.02     0.11   0.03   0.02     0.10   0.02   0.02
    56   1    -0.00  -0.11   0.13     0.02  -0.13   0.12     0.01  -0.12   0.11
    57   1     0.01   0.21  -0.18     0.05  -0.12   0.02     0.05  -0.11   0.01
    58   1     0.11  -0.14  -0.16    -0.05   0.01   0.05    -0.04   0.01   0.05
    59   1    -0.08   0.08   0.10    -0.12   0.15   0.10    -0.12   0.15   0.10
    60   1     0.17   0.13   0.18     0.14   0.03  -0.18     0.15   0.03  -0.16
    61   1    -0.03   0.06  -0.03    -0.01   0.03   0.14    -0.01   0.03   0.13
    62   1     0.01  -0.17  -0.08    -0.09   0.10   0.13    -0.08   0.09   0.12
    63   1    -0.06  -0.01  -0.03     0.06  -0.23  -0.05     0.05  -0.22  -0.04
                    100                    101                    102
                      A                      A                      A
 Frequencies --   1133.7756              1133.9760              1157.3013
 Red. masses --      2.3007                 2.3137                 2.2787
 Frc consts  --      1.7425                 1.7529                 1.7981
 IR Inten    --     55.6396                31.5157                46.3868
 RamAct Fr= 1--      2.5157                17.7796                 0.0352
  Dep-P Fr= 1--      0.6988                 0.3165                 0.7491
  Dep-U Fr= 1--      0.8227                 0.4808                 0.8566
 Alpha2 Fr= 1--      0.0022                 0.1735                 0.0000
 Beta2  Fr= 1--      0.3450                 1.4248                 0.0050
 AlphaG Fr= 1--     -0.0082                -0.6223                -0.0000
 Gamma2 Fr= 1--     12.3072                -6.4466                 1.1014
 Delta2 Fr= 1--      5.4563                -0.5947                 0.3035
 Raman1 Fr= 1--      10.063                 71.118                  0.141
 ROA1   Fr= 1--    1356.095               -637.902                115.449
 CID1   Fr= 1--     134.762                 -8.970                819.802
 Raman2 Fr= 1--       4.140                 17.098                  0.060
 ROA2   Fr= 1--     251.723               -149.960                 24.007
 CID2   Fr= 1--      60.810                 -8.771                398.044
 Raman3 Fr= 1--       8.279                 34.196                  0.121
 ROA3   Fr= 1--    1356.095               -637.902                115.449
 CID3   Fr= 1--     163.798                -18.654                957.093
 RC180  Fr= 1--       0.645                 -0.038                  0.713
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.00   0.01    -0.01   0.01  -0.02    -0.05  -0.02  -0.06
     2   6    -0.00   0.01  -0.01     0.00  -0.02   0.02     0.04   0.05   0.08
     3   6    -0.02   0.02   0.00     0.02  -0.02  -0.01    -0.05   0.04  -0.02
     4   6    -0.02  -0.06   0.01     0.02   0.08  -0.02     0.01   0.01   0.02
     5   6     0.02   0.03  -0.11    -0.03  -0.03   0.14    -0.01  -0.06  -0.08
     6   6    -0.02  -0.01   0.05     0.03   0.01  -0.06     0.03  -0.00   0.04
     7   6     0.03   0.03  -0.03    -0.04  -0.03   0.04     0.06  -0.07  -0.01
     8   8     0.01   0.01  -0.00    -0.02  -0.01   0.00     0.01  -0.01  -0.00
     9  29     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    10   8     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.00   0.01   0.00
    11   6    -0.01   0.02  -0.01     0.01  -0.03   0.01    -0.00  -0.01   0.00
    12   6    -0.01   0.00   0.09     0.01   0.00  -0.12     0.06  -0.02  -0.02
    13   9    -0.01   0.01  -0.02     0.01  -0.01   0.03    -0.01   0.00  -0.00
    14   6    -0.01  -0.02   0.07     0.01   0.02  -0.10     0.00   0.03   0.04
    15   6    -0.02  -0.01   0.02     0.02   0.01  -0.03    -0.03   0.03   0.00
    16   6     0.01  -0.02   0.02    -0.01   0.02  -0.03    -0.03   0.03   0.01
    17   8     0.02   0.01   0.00     0.01   0.01   0.00     0.01  -0.01   0.00
    18   6    -0.02  -0.08  -0.02    -0.02  -0.07  -0.01     0.01   0.01  -0.02
    19   6     0.03   0.03   0.14     0.02   0.02   0.11    -0.01  -0.06   0.09
    20   6     0.03   0.03   0.04     0.03   0.03   0.03     0.07  -0.07   0.02
    21   6    -0.00   0.02   0.02    -0.00   0.02   0.01     0.04   0.05  -0.09
    22   6    -0.02   0.02  -0.01    -0.01   0.02  -0.00    -0.05   0.04   0.02
    23   6     0.02  -0.01  -0.02     0.01  -0.00  -0.01    -0.05  -0.02   0.06
    24   6    -0.03  -0.01  -0.06    -0.02  -0.01  -0.05     0.03  -0.00  -0.04
    25   6     0.01  -0.02  -0.03     0.01  -0.02  -0.02    -0.03   0.03  -0.01
    26   6    -0.02  -0.01  -0.03    -0.02  -0.01  -0.02    -0.03   0.03  -0.00
    27   6    -0.01  -0.02  -0.09    -0.01  -0.02  -0.08     0.00   0.03  -0.05
    28   6    -0.01   0.03   0.02    -0.01   0.03   0.01    -0.00  -0.01  -0.00
    29   6    -0.01  -0.00  -0.12    -0.01  -0.00  -0.09     0.06  -0.02   0.02
    30   9    -0.01   0.01   0.03    -0.01   0.01   0.02    -0.01   0.00   0.00
    31   8     0.01  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.01  -0.00
    32   9     0.02  -0.00   0.03     0.02  -0.00   0.02    -0.02   0.00  -0.02
    33   9    -0.01  -0.01   0.01    -0.00  -0.01   0.01    -0.01  -0.00  -0.00
    34   9    -0.01  -0.01  -0.01     0.01   0.01   0.01    -0.01  -0.00   0.00
    35   9     0.02  -0.00  -0.02    -0.02   0.00   0.03    -0.02   0.00   0.02
    36   1     0.12  -0.17   0.13     0.09  -0.13   0.10    -0.19   0.22  -0.13
    37   1     0.06  -0.05   0.03     0.05  -0.04   0.03     0.01  -0.15  -0.02
    38   1    -0.02   0.19   0.13    -0.01   0.15   0.10    -0.01  -0.09  -0.24
    39   1    -0.04   0.10   0.03    -0.03   0.09   0.03     0.13  -0.03   0.14
    40   1    -0.20  -0.07  -0.13    -0.17  -0.06  -0.10     0.11   0.02   0.22
    41   1    -0.01   0.04   0.00    -0.01   0.03  -0.00     0.03  -0.11  -0.05
    42   1    -0.03   0.01   0.01    -0.03   0.01   0.01     0.04  -0.06  -0.13
    43   1    -0.04  -0.02  -0.12    -0.03  -0.01  -0.10     0.06   0.00   0.18
    44   1    -0.14  -0.06   0.04    -0.11  -0.05   0.03     0.03  -0.09   0.02
    45   1     0.04   0.00   0.06     0.03   0.00   0.05    -0.14  -0.10   0.05
    46   1     0.05   0.05   0.05     0.04   0.04   0.04     0.12  -0.00  -0.04
    47   1     0.14  -0.16   0.20     0.11  -0.13   0.16     0.02  -0.05   0.05
    48   1    -0.01  -0.00   0.21    -0.01   0.00   0.17    -0.04   0.10   0.04
    49   1    -0.11   0.38  -0.07    -0.09   0.30  -0.06    -0.07   0.15  -0.02
    50   1    -0.03   0.01  -0.01     0.03  -0.01   0.01     0.04  -0.06   0.12
    51   1    -0.01   0.03  -0.00     0.01  -0.03  -0.00     0.03  -0.10   0.05
    52   1    -0.04  -0.02   0.10     0.04   0.02  -0.12     0.06   0.00  -0.17
    53   1     0.04   0.04  -0.04    -0.05  -0.05   0.05     0.11  -0.00   0.03
    54   1     0.04   0.00  -0.05    -0.04  -0.00   0.06    -0.13  -0.10  -0.04
    55   1    -0.11  -0.05  -0.03     0.14   0.06   0.04     0.03  -0.09  -0.02
    56   1    -0.01   0.15  -0.11     0.02  -0.19   0.13    -0.01  -0.08   0.22
    57   1    -0.03   0.08  -0.02     0.04  -0.11   0.03     0.13  -0.03  -0.13
    58   1     0.04  -0.04  -0.02    -0.06   0.05   0.03     0.01  -0.15   0.02
    59   1     0.10  -0.13  -0.11    -0.12   0.16   0.13    -0.19   0.21   0.13
    60   1    -0.16  -0.05   0.10     0.21   0.07  -0.13     0.11   0.02  -0.21
    61   1    -0.00  -0.00  -0.17     0.01   0.00   0.21    -0.04   0.09  -0.03
    62   1     0.11  -0.13  -0.16    -0.14   0.16   0.21     0.02  -0.04  -0.04
    63   1    -0.09   0.30   0.06     0.11  -0.38  -0.07    -0.07   0.15   0.02
                    103                    104                    105
                      A                      A                      A
 Frequencies --   1157.4858              1174.9639              1175.2427
 Red. masses --      2.2578                 2.4427                 2.4958
 Frc consts  --      1.7822                 1.9869                 2.0310
 IR Inten    --      3.2696                 1.5614                59.5246
 RamAct Fr= 1--      9.9265                29.2625                 0.4740
  Dep-P Fr= 1--      0.6965                 0.3476                 0.5715
  Dep-U Fr= 1--      0.8211                 0.5159                 0.7273
 Alpha2 Fr= 1--      0.0093                 0.2589                 0.0016
 Beta2  Fr= 1--      1.3585                 2.5159                 0.0575
 AlphaG Fr= 1--     -0.0228                -0.5940                -0.0041
 Gamma2 Fr= 1--      0.3007               -14.3347                -3.3415
 Delta2 Fr= 1--     -1.7900                -1.8259                -0.6766
 Raman1 Fr= 1--      39.706                117.050                  1.896
 ROA1   Fr= 1--     -28.414              -1434.565               -342.434
 CID1   Fr= 1--      -0.716                -12.256               -180.627
 Raman2 Fr= 1--      16.302                 30.191                  0.689
 ROA2   Fr= 1--      21.537               -329.427                -74.783
 CID2   Fr= 1--       1.321                -10.911               -108.467
 Raman3 Fr= 1--      32.603                 60.383                  1.379
 ROA3   Fr= 1--     -28.414              -1434.565               -342.434
 CID3   Fr= 1--      -0.872                -23.758               -248.337
 RC180  Fr= 1--       0.642                  0.032                  0.455
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.05   0.02   0.06    -0.00   0.01   0.05    -0.00   0.01   0.04
     2   6    -0.04  -0.05  -0.09     0.02  -0.02  -0.03     0.01  -0.02  -0.03
     3   6     0.05  -0.04   0.02    -0.05   0.02   0.00    -0.04   0.02   0.00
     4   6    -0.01  -0.01  -0.02    -0.01  -0.04  -0.03    -0.01  -0.04  -0.02
     5   6     0.02   0.06   0.09     0.12  -0.08   0.05     0.10  -0.07   0.04
     6   6    -0.03   0.00  -0.04    -0.04  -0.01  -0.05    -0.04  -0.01  -0.04
     7   6    -0.07   0.07   0.01     0.10   0.06  -0.06     0.08   0.05  -0.05
     8   8    -0.01   0.01   0.00    -0.01   0.00   0.00    -0.01   0.00   0.00
     9  29     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.00  -0.01  -0.00     0.02   0.00   0.00     0.01   0.00   0.00
    11   6     0.00   0.02  -0.00    -0.02   0.03   0.00    -0.02   0.03   0.00
    12   6    -0.06   0.02   0.03     0.09   0.03   0.02     0.08   0.03   0.02
    13   9     0.01  -0.00   0.00    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    14   6    -0.00  -0.03  -0.04    -0.06   0.04  -0.02    -0.05   0.03  -0.02
    15   6     0.03  -0.03  -0.00    -0.04  -0.01   0.02    -0.04  -0.01   0.02
    16   6     0.03  -0.04  -0.01    -0.04  -0.02   0.02    -0.03  -0.02   0.02
    17   8     0.01  -0.01   0.00     0.01  -0.00   0.00    -0.01   0.00  -0.00
    18   6     0.01   0.01  -0.02     0.00   0.03  -0.02    -0.01  -0.04   0.03
    19   6    -0.02  -0.05   0.08    -0.10   0.07   0.04     0.12  -0.08  -0.05
    20   6     0.06  -0.07   0.01    -0.08  -0.05  -0.06     0.10   0.06   0.06
    21   6     0.04   0.05  -0.08    -0.01   0.02  -0.03     0.02  -0.02   0.03
    22   6    -0.05   0.04   0.02     0.05  -0.02   0.00    -0.05   0.02  -0.00
    23   6    -0.05  -0.02   0.06     0.00  -0.01   0.04    -0.00   0.01  -0.05
    24   6     0.03  -0.00  -0.04     0.04   0.01  -0.04    -0.04  -0.01   0.05
    25   6    -0.03   0.03  -0.01     0.03   0.02   0.02    -0.04  -0.02  -0.02
    26   6    -0.02   0.03  -0.00     0.04   0.01   0.02    -0.04  -0.01  -0.02
    27   6     0.00   0.03  -0.04     0.05  -0.03  -0.02    -0.06   0.04   0.03
    28   6    -0.00  -0.02  -0.00     0.02  -0.02   0.00    -0.02   0.03  -0.00
    29   6     0.05  -0.02   0.02    -0.07  -0.03   0.02     0.09   0.03  -0.02
    30   9    -0.01   0.00   0.00     0.01  -0.00  -0.01    -0.01   0.00   0.01
    31   8    -0.00   0.01  -0.00    -0.01  -0.00   0.00     0.01   0.00  -0.00
    32   9    -0.02   0.00  -0.02     0.01   0.00   0.00    -0.01  -0.00  -0.01
    33   9    -0.00   0.00  -0.00     0.02   0.02  -0.01    -0.02  -0.02   0.01
    34   9     0.00  -0.00  -0.00    -0.02  -0.02  -0.01    -0.02  -0.02  -0.01
    35   9     0.02  -0.00  -0.02    -0.01  -0.00   0.01    -0.01  -0.00   0.01
    36   1    -0.19   0.21  -0.13     0.05  -0.03   0.19    -0.05   0.02  -0.22
    37   1     0.01  -0.15  -0.02    -0.06  -0.04  -0.13     0.07   0.05   0.15
    38   1    -0.01  -0.08  -0.23    -0.01   0.16   0.06     0.01  -0.19  -0.06
    39   1     0.13  -0.04   0.13     0.07  -0.25  -0.08    -0.09   0.29   0.09
    40   1     0.11   0.02   0.21    -0.11  -0.11   0.23     0.12   0.12  -0.27
    41   1     0.03  -0.10  -0.04     0.03   0.02   0.14    -0.03  -0.02  -0.16
    42   1     0.04  -0.06  -0.12    -0.05  -0.00  -0.00     0.05   0.00   0.01
    43   1     0.05   0.00   0.17    -0.04  -0.04   0.02     0.05   0.05  -0.02
    44   1     0.03  -0.09   0.02     0.11   0.05  -0.03    -0.13  -0.06   0.03
    45   1    -0.13  -0.10   0.04     0.02   0.02  -0.04    -0.02  -0.02   0.04
    46   1     0.11  -0.00  -0.03     0.00  -0.02  -0.03    -0.01   0.02   0.03
    47   1     0.02  -0.05   0.04     0.01  -0.22   0.10    -0.01   0.26  -0.11
    48   1    -0.04   0.09   0.03    -0.05   0.10   0.05     0.06  -0.12  -0.06
    49   1    -0.07   0.14  -0.02    -0.11   0.01   0.04     0.13  -0.01  -0.05
    50   1    -0.04   0.06  -0.13     0.05   0.00  -0.00     0.04   0.00  -0.01
    51   1    -0.03   0.11  -0.05    -0.03  -0.02   0.16    -0.03  -0.01   0.14
    52   1    -0.06  -0.00   0.18     0.05   0.05   0.02     0.04   0.04   0.02
    53   1    -0.12   0.00  -0.04    -0.00   0.02  -0.03    -0.01   0.02  -0.03
    54   1     0.14   0.10   0.05    -0.02  -0.03  -0.04    -0.02  -0.02  -0.04
    55   1    -0.03   0.09   0.02    -0.13  -0.06  -0.03    -0.11  -0.05  -0.03
    56   1     0.01   0.09  -0.24     0.01  -0.19   0.07     0.01  -0.16   0.05
    57   1    -0.13   0.04   0.14    -0.08   0.29  -0.10    -0.08   0.25  -0.08
    58   1    -0.01   0.16  -0.02     0.08   0.05  -0.15     0.06   0.04  -0.13
    59   1     0.19  -0.22  -0.13    -0.05   0.03   0.22    -0.04   0.02   0.18
    60   1    -0.12  -0.02   0.22     0.13   0.12   0.26     0.10   0.10   0.23
    61   1     0.04  -0.10   0.03     0.06  -0.12   0.06     0.05  -0.10   0.05
    62   1    -0.02   0.05   0.05    -0.01   0.26   0.11    -0.01   0.22   0.10
    63   1     0.08  -0.15  -0.02     0.13  -0.01   0.05     0.11  -0.01   0.04
                    106                    107                    108
                      A                      A                      A
 Frequencies --   1181.0040              1181.2365              1204.7122
 Red. masses --      4.1678                 4.4815                 2.3164
 Frc consts  --      3.4250                 3.6842                 1.9808
 IR Inten    --     72.4988                 0.9736               253.2293
 RamAct Fr= 1--      0.1428                15.0717                 1.2895
  Dep-P Fr= 1--      0.6487                 0.2635                 0.7496
  Dep-U Fr= 1--      0.7869                 0.4172                 0.8569
 Alpha2 Fr= 1--      0.0003                 0.1719                 0.0000
 Beta2  Fr= 1--      0.0187                 1.0479                 0.1842
 AlphaG Fr= 1--      0.0002                 0.0360                 0.0000
 Gamma2 Fr= 1--      2.5949                -1.8089                 5.3476
 Delta2 Fr= 1--      0.8877                 0.2529                 3.0860
 Raman1 Fr= 1--       0.571                 60.287                  5.158
 ROA1   Fr= 1--     277.520               -165.557                612.125
 CID1   Fr= 1--     485.813                 -2.746                118.675
 Raman2 Fr= 1--       0.225                 12.574                  2.210
 ROA2   Fr= 1--      55.176                -45.436                103.656
 CID2   Fr= 1--     245.486                 -3.613                 46.906
 Raman3 Fr= 1--       0.450                 25.149                  4.420
 ROA3   Fr= 1--     277.520               -165.557                612.125
 CID3   Fr= 1--     617.362                 -6.583                138.499
 RC180  Fr= 1--       0.574                 -0.166                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.01   0.02    -0.00  -0.01   0.02     0.01   0.01   0.01
     2   6     0.03  -0.03  -0.04     0.03  -0.03  -0.05    -0.01  -0.01  -0.03
     3   6    -0.08   0.03   0.01    -0.08   0.03   0.01    -0.08  -0.02  -0.01
     4   6    -0.01  -0.05   0.00    -0.02  -0.06   0.00     0.00   0.03   0.01
     5   6    -0.07  -0.03   0.01    -0.08  -0.03   0.00     0.04  -0.04  -0.03
     6   6     0.03   0.03  -0.00     0.04   0.03  -0.00     0.00  -0.01  -0.01
     7   6    -0.11  -0.02   0.02    -0.12  -0.02   0.03    -0.08  -0.08  -0.03
     8   8     0.04  -0.00   0.00     0.04  -0.00  -0.00     0.01  -0.01  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.01   0.01   0.00     0.01   0.01  -0.00     0.06   0.00  -0.00
    11   6    -0.03   0.05   0.01    -0.03   0.06   0.01    -0.01   0.00   0.00
    12   6     0.25   0.05   0.03     0.30   0.05   0.03    -0.11   0.07   0.00
    13   9    -0.03   0.01  -0.03    -0.04   0.01  -0.03     0.02  -0.01   0.02
    14   6     0.05   0.02  -0.01     0.05   0.02  -0.01    -0.02   0.02   0.01
    15   6     0.04  -0.00   0.00     0.04  -0.01   0.00     0.02   0.03   0.03
    16   6     0.05   0.02  -0.01     0.05   0.02  -0.01     0.04   0.04   0.02
    17   8     0.04  -0.00  -0.00    -0.04   0.00  -0.00     0.01  -0.01   0.00
    18   6    -0.01  -0.06  -0.00     0.01   0.06   0.00     0.00   0.03  -0.01
    19   6    -0.08  -0.03  -0.01     0.07   0.03   0.00     0.04  -0.04   0.03
    20   6    -0.12  -0.02  -0.03     0.11   0.02   0.02    -0.08  -0.08   0.03
    21   6     0.03  -0.03   0.05    -0.03   0.03  -0.04    -0.01  -0.01   0.03
    22   6    -0.08   0.03  -0.01     0.07  -0.03   0.01    -0.08  -0.02   0.01
    23   6    -0.00  -0.01  -0.02     0.00   0.01   0.02     0.01   0.01  -0.01
    24   6     0.04   0.03   0.00    -0.03  -0.03  -0.00     0.00  -0.01   0.01
    25   6     0.05   0.02   0.01    -0.05  -0.02  -0.01     0.04   0.04  -0.02
    26   6     0.05  -0.01  -0.00    -0.04   0.00   0.00     0.02   0.03  -0.03
    27   6     0.05   0.02   0.01    -0.04  -0.02  -0.01    -0.02   0.02  -0.01
    28   6    -0.03   0.05  -0.01     0.03  -0.05   0.01    -0.01   0.00  -0.00
    29   6     0.27   0.05  -0.03    -0.27  -0.05   0.03    -0.11   0.07  -0.00
    30   9    -0.04   0.01   0.03     0.04  -0.01  -0.03     0.02  -0.01  -0.02
    31   8     0.01   0.01  -0.00    -0.01  -0.01  -0.00     0.06   0.00   0.00
    32   9    -0.05   0.00  -0.03     0.05  -0.00   0.03     0.03  -0.01   0.02
    33   9    -0.06  -0.06   0.02     0.06   0.05  -0.02     0.01  -0.01   0.00
    34   9    -0.06  -0.05  -0.02    -0.07  -0.06  -0.02     0.01  -0.01  -0.00
    35   9    -0.04   0.00   0.03    -0.05   0.00   0.03     0.03  -0.01  -0.02
    36   1     0.10  -0.05   0.22    -0.10   0.05  -0.21    -0.03   0.02  -0.06
    37   1    -0.08   0.02  -0.12     0.08  -0.02   0.11    -0.05   0.06  -0.07
    38   1    -0.03   0.20   0.12     0.03  -0.18  -0.11     0.00  -0.03   0.01
    39   1     0.03  -0.14  -0.09    -0.03   0.12   0.08    -0.02  -0.04  -0.06
    40   1     0.20   0.10  -0.08    -0.17  -0.08   0.07     0.40   0.31  -0.20
    41   1     0.03   0.05   0.20    -0.02  -0.05  -0.18     0.05  -0.01   0.20
    42   1    -0.10  -0.01  -0.03     0.10   0.01   0.03    -0.11  -0.04  -0.11
    43   1    -0.08  -0.07  -0.05     0.07   0.06   0.04    -0.09  -0.09   0.01
    44   1     0.03   0.06  -0.02    -0.03  -0.05   0.02    -0.01  -0.06   0.02
    45   1     0.12   0.07  -0.02    -0.11  -0.06   0.02     0.04  -0.00   0.06
    46   1     0.01   0.02   0.02    -0.01  -0.02  -0.02     0.16   0.06   0.01
    47   1    -0.06  -0.10  -0.03     0.06   0.09   0.02     0.01   0.06  -0.01
    48   1    -0.07   0.17  -0.09     0.06  -0.16   0.08     0.00  -0.01   0.01
    49   1    -0.07  -0.11   0.06     0.06   0.09  -0.05     0.01   0.08  -0.03
    50   1    -0.10  -0.01   0.03    -0.10  -0.01   0.03    -0.11  -0.04   0.11
    51   1     0.02   0.05  -0.19     0.03   0.05  -0.20     0.05  -0.01  -0.19
    52   1    -0.08  -0.06   0.04    -0.08  -0.07   0.05    -0.08  -0.09  -0.01
    53   1     0.01   0.02  -0.02     0.01   0.02  -0.02     0.15   0.06  -0.01
    54   1     0.11   0.07   0.02     0.12   0.07   0.02     0.04  -0.00  -0.06
    55   1     0.03   0.05   0.02     0.03   0.06   0.02    -0.01  -0.06  -0.02
    56   1    -0.03   0.19  -0.11    -0.03   0.20  -0.12     0.00  -0.03  -0.01
    57   1     0.03  -0.13   0.08     0.03  -0.14   0.09    -0.02  -0.04   0.06
    58   1    -0.08   0.01   0.11    -0.09   0.02   0.12    -0.05   0.05   0.07
    59   1     0.09  -0.05  -0.21     0.10  -0.06  -0.22    -0.03   0.02   0.06
    60   1     0.18   0.09   0.07     0.18   0.09   0.08     0.39   0.30   0.20
    61   1    -0.06   0.16   0.08    -0.07   0.17   0.08     0.00  -0.01  -0.01
    62   1    -0.06  -0.10   0.02    -0.06  -0.10   0.02     0.01   0.06   0.01
    63   1    -0.06  -0.10  -0.06    -0.07  -0.10  -0.06     0.01   0.07   0.03
                    109                    110                    111
                      A                      A                      A
 Frequencies --   1206.8119              1212.9739              1213.3315
 Red. masses --      2.1732                 2.1629                 2.0964
 Frc consts  --      1.8647                 1.8749                 1.8183
 IR Inten    --      0.2318                 6.0442               159.3474
 RamAct Fr= 1--      4.3889                 9.9688                 1.7487
  Dep-P Fr= 1--      0.6327                 0.3377                 0.7222
  Dep-U Fr= 1--      0.7750                 0.5049                 0.8387
 Alpha2 Fr= 1--      0.0093                 0.0910                 0.0008
 Beta2  Fr= 1--      0.5669                 0.8389                 0.2444
 AlphaG Fr= 1--      0.0097                 0.1480                 0.0016
 Gamma2 Fr= 1--      1.3575                 5.5918                -8.6157
 Delta2 Fr= 1--      1.3568                 5.6981                -6.0368
 Raman1 Fr= 1--      17.556                 39.875                  6.995
 ROA1   Fr= 1--     173.741                719.151              -1020.283
 CID1   Fr= 1--       9.897                 18.035               -145.864
 Raman2 Fr= 1--       6.803                 10.067                  2.933
 ROA2   Fr= 1--      21.727                 88.618               -158.483
 CID2   Fr= 1--       3.194                  8.803                -54.031
 Raman3 Fr= 1--      13.606                 20.134                  5.866
 ROA3   Fr= 1--     173.741                719.151              -1020.283
 CID3   Fr= 1--      12.770                 35.719               -173.922
 RC180  Fr= 1--       0.550                  0.010                  0.677
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.02   0.01    -0.04  -0.02   0.02    -0.05  -0.03   0.03
     2   6    -0.02  -0.01  -0.03     0.05   0.02  -0.05     0.06   0.02  -0.05
     3   6    -0.06  -0.02  -0.01    -0.06   0.03   0.01    -0.06   0.04   0.02
     4   6     0.01   0.03   0.02     0.00  -0.02  -0.01    -0.00  -0.03  -0.02
     5   6     0.05  -0.04  -0.05    -0.05  -0.03   0.05    -0.07  -0.03   0.07
     6   6    -0.01  -0.02  -0.01     0.03   0.04   0.00     0.04   0.05   0.01
     7   6    -0.09  -0.08  -0.02     0.03  -0.04  -0.06     0.06  -0.03  -0.07
     8   8     0.00  -0.01  -0.00     0.03  -0.00   0.00     0.03  -0.00   0.00
     9  29    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.05  -0.00  -0.00     0.02   0.00  -0.00     0.02   0.00   0.00
    11   6    -0.00   0.01   0.00    -0.01  -0.00  -0.00    -0.01  -0.01  -0.00
    12   6    -0.09   0.07   0.00    -0.07  -0.03  -0.00    -0.07  -0.04  -0.00
    13   9     0.02  -0.01   0.02     0.01  -0.00   0.01     0.01   0.00   0.00
    14   6    -0.03   0.01   0.02     0.03   0.02  -0.03     0.03   0.02  -0.04
    15   6     0.02   0.03   0.03    -0.01   0.01   0.03    -0.02   0.00   0.03
    16   6     0.05   0.03   0.01    -0.01   0.03   0.02    -0.02   0.03   0.02
    17   8    -0.00   0.01  -0.00    -0.03   0.01   0.00     0.03  -0.00  -0.00
    18   6    -0.01  -0.03   0.02     0.00   0.03  -0.01    -0.00  -0.02   0.01
    19   6    -0.05   0.04  -0.05     0.07   0.04   0.07    -0.06  -0.02  -0.06
    20   6     0.09   0.08  -0.02    -0.04   0.04  -0.07     0.05  -0.02   0.06
    21   6     0.02   0.01  -0.03    -0.06  -0.02  -0.06     0.05   0.02   0.04
    22   6     0.06   0.02  -0.01     0.07  -0.04   0.02    -0.05   0.03  -0.01
    23   6    -0.01  -0.02   0.01     0.05   0.03   0.03    -0.04  -0.02  -0.02
    24   6     0.01   0.02  -0.01    -0.04  -0.05   0.01     0.03   0.04  -0.01
    25   6    -0.05  -0.03   0.01     0.01  -0.04   0.03    -0.02   0.02  -0.02
    26   6    -0.02  -0.03   0.03     0.01  -0.01   0.03    -0.01   0.00  -0.02
    27   6     0.02  -0.01   0.02    -0.03  -0.02  -0.04     0.03   0.01   0.03
    28   6     0.00  -0.01   0.00     0.01   0.01  -0.00    -0.01  -0.01   0.00
    29   6     0.09  -0.06   0.00     0.08   0.04  -0.00    -0.06  -0.03   0.00
    30   9    -0.02   0.01   0.02    -0.01   0.00   0.01     0.01   0.00  -0.00
    31   8    -0.04   0.00  -0.00    -0.03  -0.00   0.00     0.01   0.00  -0.00
    32   9    -0.02   0.01  -0.02    -0.02  -0.00  -0.01     0.01   0.00   0.01
    33   9    -0.00   0.01  -0.00    -0.02  -0.02   0.01     0.02   0.02  -0.00
    34   9     0.00  -0.01  -0.00     0.02   0.02   0.00     0.02   0.02   0.00
    35   9     0.02  -0.01  -0.02     0.01   0.00  -0.01     0.01   0.00  -0.01
    36   1     0.03  -0.01   0.08    -0.05  -0.03  -0.16     0.04   0.02   0.14
    37   1     0.07  -0.09   0.09    -0.09   0.21  -0.11     0.09  -0.18   0.11
    38   1    -0.02   0.08  -0.00     0.08  -0.32  -0.07    -0.07   0.27   0.06
    39   1     0.03   0.03   0.06    -0.07   0.06  -0.01     0.06  -0.04   0.02
    40   1    -0.39  -0.30   0.16     0.17   0.01   0.38    -0.20  -0.06  -0.26
    41   1    -0.04  -0.00  -0.20    -0.03   0.08  -0.01     0.02  -0.07  -0.03
    42   1     0.11   0.03   0.09     0.02   0.07   0.16     0.01  -0.05  -0.11
    43   1     0.09   0.09   0.00     0.01   0.03  -0.08     0.01  -0.00   0.06
    44   1    -0.01   0.05  -0.01     0.08   0.08  -0.03    -0.07  -0.06   0.02
    45   1    -0.04  -0.00  -0.05    -0.01   0.03  -0.07    -0.00  -0.03   0.05
    46   1    -0.15  -0.05  -0.01    -0.09  -0.05  -0.02     0.05   0.03   0.02
    47   1    -0.03  -0.06  -0.01     0.09   0.02   0.08    -0.07  -0.02  -0.06
    48   1    -0.01   0.02  -0.03     0.03  -0.10   0.13    -0.03   0.08  -0.10
    49   1    -0.01  -0.11   0.04     0.00   0.18  -0.06    -0.00  -0.15   0.05
    50   1    -0.11  -0.03   0.10    -0.02  -0.05   0.13     0.00  -0.06   0.14
    51   1     0.05   0.00  -0.21     0.03  -0.06  -0.02     0.02  -0.08   0.03
    52   1    -0.09  -0.09   0.00    -0.01  -0.03  -0.06     0.01  -0.01  -0.08
    53   1     0.15   0.05  -0.01     0.08   0.04  -0.02     0.06   0.04  -0.02
    54   1     0.04   0.00  -0.05     0.01  -0.02  -0.06    -0.00  -0.03  -0.06
    55   1     0.01  -0.05  -0.01    -0.07  -0.07  -0.03    -0.08  -0.08  -0.03
    56   1     0.02  -0.07  -0.00    -0.06   0.26  -0.06    -0.08   0.33  -0.07
    57   1    -0.03  -0.03   0.07     0.06  -0.05  -0.00     0.08  -0.05  -0.02
    58   1    -0.07   0.09   0.09     0.07  -0.16  -0.09     0.10  -0.22  -0.13
    59   1    -0.03   0.01   0.08     0.04   0.02  -0.13     0.05   0.03  -0.17
    60   1     0.39   0.31   0.17    -0.13   0.00   0.32    -0.23  -0.06   0.33
    61   1     0.01  -0.02  -0.03    -0.03   0.08   0.10    -0.03   0.09   0.13
    62   1     0.03   0.06  -0.01    -0.07  -0.01   0.06    -0.09  -0.02   0.08
    63   1     0.01   0.11   0.04    -0.00  -0.14  -0.05    -0.00  -0.19  -0.06
                    112                    113                    114
                      A                      A                      A
 Frequencies --   1228.5308              1229.0682              1249.4221
 Red. masses --      2.3366                 2.3777                 2.8281
 Frc consts  --      2.0778                 2.1162                 2.6012
 IR Inten    --    133.1237                 3.5045               170.2513
 RamAct Fr= 1--      6.0662                15.6280                 0.5484
  Dep-P Fr= 1--      0.7500                 0.5584                 0.7500
  Dep-U Fr= 1--      0.8571                 0.7166                 0.8571
 Alpha2 Fr= 1--      0.0000                 0.0569                 0.0000
 Beta2  Fr= 1--      0.8666                 1.8665                 0.0783
 AlphaG Fr= 1--      0.0000                -0.1042                 0.0000
 Gamma2 Fr= 1--     -4.6010                -0.5952                -0.0252
 Delta2 Fr= 1--      3.7625                 3.0297                 1.1828
 Raman1 Fr= 1--      24.265                 62.512                  2.194
 ROA1   Fr= 1--    -321.297                 39.815                 35.431
 CID1   Fr= 1--     -13.241                  0.637                 16.152
 Raman2 Fr= 1--      10.399                 22.398                  0.940
 ROA2   Fr= 1--    -140.524                -38.521                -10.067
 CID2   Fr= 1--     -13.513                 -1.720                -10.709
 Raman3 Fr= 1--      20.798                 44.797                  1.880
 ROA3   Fr= 1--    -321.297                 39.815                 35.431
 CID3   Fr= 1--     -15.448                  0.889                 18.845
 RC180  Fr= 1--       0.714                  0.433                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02  -0.01   0.00    -0.02  -0.01   0.00     0.02  -0.03  -0.03
     2   6     0.05  -0.05   0.03     0.05  -0.05   0.02     0.02   0.01   0.03
     3   6    -0.11   0.03  -0.00    -0.12   0.04   0.00    -0.10  -0.04  -0.01
     4   6     0.00  -0.01  -0.01     0.01  -0.01  -0.00    -0.01  -0.02  -0.01
     5   6    -0.01  -0.03  -0.01    -0.01  -0.05  -0.02    -0.02   0.09   0.04
     6   6     0.04  -0.01  -0.01     0.05  -0.01  -0.02    -0.05   0.03   0.03
     7   6    -0.01   0.14   0.00    -0.03   0.14   0.00     0.06  -0.02   0.09
     8   8     0.02  -0.01   0.00     0.02  -0.01   0.00     0.02  -0.00   0.00
     9  29    -0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.05   0.01   0.00     0.05   0.01   0.00     0.05   0.01   0.00
    11   6    -0.02  -0.01  -0.00    -0.02  -0.01   0.00    -0.02  -0.03  -0.00
    12   6    -0.06   0.00  -0.01    -0.06  -0.01  -0.01    -0.02   0.15   0.02
    13   9     0.01  -0.00   0.01     0.01  -0.00   0.01     0.01  -0.02   0.01
    14   6     0.01   0.01   0.01     0.01   0.01   0.01     0.01  -0.03  -0.02
    15   6     0.01  -0.06  -0.01     0.01  -0.06  -0.00    -0.02   0.01  -0.04
    16   6     0.01  -0.06  -0.01     0.01  -0.06  -0.00    -0.03   0.00  -0.03
    17   8     0.02  -0.01  -0.00    -0.02   0.01   0.00     0.02  -0.00  -0.00
    18   6     0.00  -0.01   0.01    -0.01   0.01  -0.00    -0.01  -0.02   0.01
    19   6    -0.01  -0.04   0.01     0.01   0.05  -0.02    -0.02   0.09  -0.04
    20   6    -0.01   0.15  -0.00     0.03  -0.14   0.00     0.06  -0.02  -0.09
    21   6     0.05  -0.05  -0.03    -0.05   0.05   0.02     0.02   0.01  -0.03
    22   6    -0.12   0.04   0.00     0.11  -0.04   0.00    -0.10  -0.04   0.01
    23   6    -0.02  -0.01  -0.00     0.02   0.01   0.00     0.02  -0.03   0.03
    24   6     0.04  -0.01   0.01    -0.05   0.01  -0.02    -0.05   0.03  -0.03
    25   6     0.01  -0.06   0.01    -0.01   0.05  -0.00    -0.03   0.00   0.03
    26   6     0.01  -0.06   0.01    -0.01   0.06  -0.00    -0.02   0.01   0.04
    27   6     0.01   0.01  -0.01    -0.01  -0.01   0.01     0.01  -0.03   0.02
    28   6    -0.02  -0.01   0.00     0.02   0.00   0.00    -0.02  -0.03   0.00
    29   6    -0.06   0.00   0.01     0.06   0.01  -0.01    -0.02   0.15  -0.02
    30   9     0.01  -0.00  -0.01    -0.01   0.00   0.01     0.01  -0.02  -0.01
    31   8     0.05   0.01  -0.00    -0.05  -0.00   0.00     0.05   0.01  -0.00
    32   9     0.01  -0.00   0.01    -0.01   0.00  -0.01     0.01  -0.01   0.01
    33   9     0.01   0.01  -0.00    -0.01  -0.01   0.00    -0.02  -0.04   0.01
    34   9     0.01   0.01   0.00     0.01   0.01   0.00    -0.02  -0.04  -0.01
    35   9     0.01  -0.00  -0.01     0.01  -0.00  -0.01     0.01  -0.01  -0.01
    36   1    -0.17   0.21  -0.16     0.17  -0.21   0.17     0.14  -0.16   0.18
    37   1    -0.04  -0.02  -0.07     0.05   0.01   0.09     0.20  -0.13   0.27
    38   1    -0.04   0.17   0.06     0.04  -0.16  -0.06     0.03  -0.02   0.03
    39   1     0.07  -0.14  -0.04    -0.06   0.14   0.05     0.01   0.15   0.14
    40   1     0.13  -0.09   0.31    -0.13   0.07  -0.26     0.17   0.05   0.16
    41   1    -0.06   0.11  -0.08     0.05  -0.11   0.06    -0.01  -0.04  -0.09
    42   1     0.01   0.07   0.17     0.01  -0.07  -0.16     0.11   0.01   0.05
    43   1     0.00   0.04  -0.17     0.01  -0.03   0.17     0.08   0.06   0.09
    44   1    -0.08   0.11  -0.02     0.08  -0.11   0.02     0.12   0.02  -0.02
    45   1     0.12   0.09  -0.06    -0.13  -0.09   0.06    -0.12  -0.04  -0.07
    46   1    -0.19  -0.01   0.06     0.17   0.00  -0.06    -0.06  -0.09  -0.08
    47   1    -0.01  -0.02  -0.00     0.00   0.02   0.00     0.00  -0.06   0.03
    48   1    -0.02   0.05  -0.02     0.02  -0.06   0.02     0.02  -0.04   0.02
    49   1    -0.02   0.02   0.00     0.02  -0.03   0.00     0.01  -0.09   0.03
    50   1     0.01   0.07  -0.16    -0.01   0.07  -0.16     0.11   0.01  -0.05
    51   1    -0.06   0.11   0.08    -0.06   0.12   0.06    -0.01  -0.04   0.09
    52   1     0.00   0.04   0.16    -0.01   0.03   0.18     0.08   0.06  -0.09
    53   1    -0.18  -0.01  -0.05    -0.18  -0.00  -0.06    -0.06  -0.09   0.08
    54   1     0.11   0.08   0.06     0.13   0.09   0.06    -0.12  -0.04   0.07
    55   1    -0.08   0.11   0.02    -0.08   0.11   0.02     0.12   0.02   0.02
    56   1    -0.04   0.16  -0.06    -0.04   0.17  -0.06     0.03  -0.02  -0.03
    57   1     0.07  -0.13   0.04     0.07  -0.14   0.05     0.01   0.15  -0.14
    58   1    -0.04  -0.02   0.07    -0.06  -0.01   0.09     0.20  -0.13  -0.27
    59   1    -0.16   0.20   0.15    -0.18   0.22   0.17     0.14  -0.16  -0.18
    60   1     0.12  -0.09  -0.30     0.14  -0.07  -0.27     0.17   0.05  -0.16
    61   1    -0.02   0.05   0.02    -0.02   0.06   0.02     0.02  -0.04  -0.02
    62   1    -0.01  -0.02   0.00    -0.01  -0.02   0.00     0.00  -0.06  -0.03
    63   1    -0.02   0.02  -0.00    -0.02   0.03   0.00     0.01  -0.09  -0.03
                    115                    116                    117
                      A                      A                      A
 Frequencies --   1251.7358              1254.6144              1255.7906
 Red. masses --      2.8963                 2.6298                 2.8765
 Frc consts  --      2.6738                 2.4389                 2.6727
 IR Inten    --      7.5866                 2.6450               207.5639
 RamAct Fr= 1--      0.5836                18.4736                 4.6094
  Dep-P Fr= 1--      0.7280                 0.6453                 0.7500
  Dep-U Fr= 1--      0.8426                 0.7844                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0348                 0.0000
 Beta2  Fr= 1--      0.0820                 2.4153                 0.6585
 AlphaG Fr= 1--      0.0076                -0.0141                 0.0000
 Gamma2 Fr= 1--      0.6599               -11.8902                21.0243
 Delta2 Fr= 1--      0.3699                -6.5645                 4.0818
 Raman1 Fr= 1--       2.335                 73.895                 18.438
 ROA1   Fr= 1--      75.191              -1351.528               2148.955
 CID1   Fr= 1--      32.208                -18.290                116.552
 Raman2 Fr= 1--       0.984                 28.983                  7.902
 ROA2   Fr= 1--      12.879               -232.849                471.929
 CID2   Fr= 1--      13.095                 -8.034                 59.725
 Raman3 Fr= 1--       1.967                 57.966                 15.803
 ROA3   Fr= 1--      75.191              -1351.528               2148.955
 CID3   Fr= 1--      38.224                -23.316                135.981
 RC180  Fr= 1--       0.685                  0.569                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.04  -0.02     0.00  -0.03   0.03    -0.01  -0.05   0.03
     2   6     0.02   0.01   0.02     0.07   0.02  -0.03     0.08   0.03  -0.04
     3   6    -0.11  -0.03  -0.01    -0.03   0.07   0.01    -0.04   0.07   0.01
     4   6    -0.01  -0.02  -0.01     0.00  -0.03   0.00    -0.00  -0.03   0.00
     5   6    -0.01   0.08   0.03     0.01  -0.06  -0.04     0.03  -0.07  -0.04
     6   6    -0.05   0.04   0.03    -0.04   0.01  -0.03    -0.04   0.02  -0.03
     7   6     0.04  -0.01   0.11    -0.06  -0.02   0.13    -0.07  -0.02   0.16
     8   8     0.02  -0.00   0.00     0.01  -0.00  -0.00     0.02  -0.00  -0.00
     9  29     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    10   8     0.06   0.01   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    11   6    -0.02  -0.03  -0.00    -0.01   0.02   0.00    -0.01   0.02   0.00
    12   6    -0.03   0.15   0.03    -0.03  -0.13  -0.01    -0.04  -0.12  -0.01
    13   9     0.01  -0.02   0.01    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    14   6     0.01  -0.02  -0.01     0.00   0.02   0.01    -0.00   0.02   0.01
    15   6    -0.01   0.01  -0.05     0.02   0.00  -0.05     0.02  -0.00  -0.06
    16   6    -0.03  -0.00  -0.03     0.01   0.01  -0.03     0.01   0.01  -0.04
    17   8    -0.02   0.00   0.00    -0.01   0.00  -0.00     0.02  -0.00   0.00
    18   6     0.01   0.02  -0.01    -0.00   0.03   0.00    -0.00  -0.03  -0.00
    19   6     0.01  -0.08   0.03    -0.01   0.07  -0.04     0.03  -0.07   0.04
    20   6    -0.04   0.01   0.11     0.07   0.02   0.13    -0.07  -0.02  -0.16
    21   6    -0.02  -0.01   0.02    -0.07  -0.02  -0.03     0.07   0.02   0.04
    22   6     0.11   0.03  -0.01     0.03  -0.07   0.01    -0.04   0.07  -0.01
    23   6    -0.02   0.04  -0.02    -0.00   0.03   0.03    -0.01  -0.05  -0.03
    24   6     0.05  -0.04   0.03     0.04  -0.01  -0.03    -0.03   0.02   0.02
    25   6     0.03   0.00  -0.03    -0.01  -0.01  -0.03     0.01   0.01   0.04
    26   6     0.01  -0.01  -0.05    -0.02  -0.00  -0.05     0.02  -0.00   0.06
    27   6    -0.01   0.02  -0.01    -0.00  -0.02   0.01    -0.00   0.02  -0.01
    28   6     0.02   0.03  -0.00     0.01  -0.03   0.00    -0.01   0.02  -0.00
    29   6     0.03  -0.15   0.03     0.03   0.13  -0.02    -0.04  -0.11   0.01
    30   9    -0.01   0.02   0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    31   8    -0.06  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    32   9    -0.02   0.01  -0.02     0.00  -0.01   0.00     0.00   0.01  -0.00
    33   9     0.02   0.04  -0.01    -0.03  -0.04   0.01     0.02   0.03  -0.01
    34   9    -0.02  -0.04  -0.01     0.03   0.04   0.01     0.03   0.04   0.01
    35   9     0.02  -0.01  -0.02    -0.00   0.01   0.00     0.00   0.01   0.00
    36   1    -0.11   0.12  -0.14    -0.10   0.13  -0.06     0.06  -0.07   0.02
    37   1    -0.22   0.16  -0.30     0.04  -0.11   0.00    -0.00   0.05   0.05
    38   1    -0.01  -0.05  -0.06    -0.02   0.17   0.09    -0.00  -0.08  -0.06
    39   1    -0.03  -0.14  -0.15     0.06  -0.43  -0.24    -0.04   0.41   0.25
    40   1    -0.17  -0.05  -0.13     0.03   0.00   0.12    -0.05  -0.01  -0.15
    41   1     0.01   0.03   0.07    -0.01  -0.02  -0.07     0.01   0.02   0.07
    42   1    -0.10  -0.02  -0.06    -0.02  -0.03  -0.07     0.03   0.04   0.08
    43   1    -0.08  -0.06  -0.08    -0.03  -0.01  -0.06     0.04   0.02   0.07
    44   1    -0.14  -0.04   0.03    -0.17  -0.10   0.05     0.19   0.11  -0.06
    45   1     0.12   0.03   0.08     0.04  -0.03   0.11    -0.05   0.03  -0.12
    46   1     0.07   0.09   0.08     0.07   0.08   0.06    -0.09  -0.09  -0.07
    47   1    -0.01   0.05  -0.03     0.01  -0.03   0.03    -0.00   0.04  -0.03
    48   1    -0.01   0.03  -0.02     0.03  -0.06   0.02    -0.03   0.06  -0.02
    49   1    -0.01   0.07  -0.02     0.03  -0.06   0.01    -0.02   0.07  -0.01
    50   1     0.10   0.02  -0.06     0.02   0.03  -0.06     0.03   0.04  -0.09
    51   1    -0.01  -0.03   0.07     0.01   0.02  -0.07     0.01   0.03  -0.08
    52   1     0.08   0.06  -0.08     0.03   0.01  -0.06     0.04   0.02  -0.07
    53   1    -0.07  -0.09   0.08    -0.07  -0.08   0.06    -0.09  -0.10   0.07
    54   1    -0.12  -0.03   0.08    -0.03   0.03   0.10    -0.05   0.03   0.13
    55   1     0.13   0.04   0.03     0.16   0.10   0.05     0.20   0.12   0.06
    56   1     0.01   0.05  -0.06     0.02  -0.16   0.09    -0.00  -0.08   0.06
    57   1     0.03   0.13  -0.15    -0.06   0.42  -0.24    -0.05   0.42  -0.26
    58   1     0.22  -0.16  -0.30    -0.04   0.11   0.00    -0.00   0.06  -0.05
    59   1     0.11  -0.12  -0.14     0.10  -0.12  -0.06     0.07  -0.08  -0.02
    60   1     0.17   0.05  -0.13    -0.03  -0.00   0.12    -0.05  -0.01   0.15
    61   1     0.01  -0.03  -0.02    -0.03   0.06   0.02    -0.03   0.06   0.02
    62   1     0.01  -0.05  -0.03    -0.01   0.03   0.03    -0.00   0.04   0.03
    63   1     0.01  -0.07  -0.02    -0.03   0.05   0.01    -0.02   0.07   0.01
                    118                    119                    120
                      A                      A                      A
 Frequencies --   1260.7252              1261.0237              1295.6518
 Red. masses --      1.5058                 1.5988                 2.0889
 Frc consts  --      1.4101                 1.4980                 2.0661
 IR Inten    --    110.5617                 4.5775                10.0805
 RamAct Fr= 1--      5.4522                12.6133                20.1868
  Dep-P Fr= 1--      0.7500                 0.7489                 0.5374
  Dep-U Fr= 1--      0.8571                 0.8564                 0.6991
 Alpha2 Fr= 1--      0.0000                 0.0002                 0.0827
 Beta2  Fr= 1--      0.7789                 1.8004                 2.3520
 AlphaG Fr= 1--      0.0001                -0.0125                -0.2578
 Gamma2 Fr= 1--    -30.3580                18.2823                26.1553
 Delta2 Fr= 1--    -12.9842                12.9825                13.1798
 Raman1 Fr= 1--      21.809                 50.453                 80.747
 ROA1   Fr= 1--   -3329.858               2170.543               2932.661
 CID1   Fr= 1--    -152.684                 43.021                 36.319
 Raman2 Fr= 1--       9.347                 21.605                 28.224
 ROA2   Fr= 1--    -624.718                334.916                522.288
 CID2   Fr= 1--     -66.839                 15.502                 18.505
 Raman3 Fr= 1--      18.693                 43.210                 56.449
 ROA3   Fr= 1--   -3329.858               2170.543               2932.661
 CID3   Fr= 1--    -178.132                 50.232                 51.953
 RC180  Fr= 1--       0.714                  0.713                  0.398
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.02   0.00    -0.04  -0.03   0.01    -0.00  -0.03   0.06
     2   6    -0.02   0.01  -0.04    -0.01   0.01  -0.06     0.02   0.03  -0.04
     3   6     0.03  -0.03   0.00     0.05  -0.03   0.00     0.00  -0.04  -0.00
     4   6     0.00   0.02   0.00     0.00   0.02   0.01     0.02   0.06   0.01
     5   6     0.06  -0.00  -0.01     0.08  -0.02  -0.03    -0.06  -0.03  -0.03
     6   6     0.02   0.01   0.01     0.02   0.01   0.00     0.05  -0.03  -0.06
     7   6    -0.02  -0.01   0.06    -0.04  -0.01   0.08     0.06   0.01   0.03
     8   8    -0.02   0.00  -0.00    -0.02   0.00  -0.00    -0.00  -0.01  -0.00
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    10   8    -0.01  -0.00  -0.00    -0.02  -0.00  -0.00    -0.01   0.01   0.00
    11   6     0.01  -0.01  -0.00     0.01  -0.00  -0.00     0.03  -0.06  -0.01
    12   6     0.02   0.04   0.01     0.02   0.01   0.01    -0.00   0.10   0.02
    13   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.01   0.00
    14   6    -0.02  -0.00   0.01    -0.03   0.00   0.01     0.02   0.00   0.01
    15   6     0.00   0.01  -0.02     0.01   0.01  -0.03    -0.01  -0.01  -0.01
    16   6     0.00  -0.00  -0.01     0.01   0.00  -0.02    -0.02   0.00  -0.01
    17   8    -0.02   0.00   0.00     0.02  -0.00  -0.00     0.00   0.01  -0.00
    18   6     0.00   0.02  -0.01    -0.00  -0.02   0.01    -0.02  -0.06   0.01
    19   6     0.07  -0.01   0.02    -0.07   0.02  -0.02     0.06   0.03  -0.03
    20   6    -0.03  -0.01  -0.07     0.03   0.01   0.07    -0.06  -0.01   0.03
    21   6    -0.02   0.01   0.05     0.01  -0.01  -0.05    -0.02  -0.03  -0.04
    22   6     0.04  -0.03  -0.00    -0.04   0.02   0.00    -0.00   0.04  -0.00
    23   6    -0.04  -0.03  -0.00     0.04   0.03   0.01     0.00   0.03   0.06
    24   6     0.02   0.02  -0.01    -0.02  -0.01   0.00    -0.05   0.03  -0.06
    25   6     0.01  -0.00   0.02    -0.01  -0.00  -0.02     0.02  -0.00  -0.01
    26   6     0.00   0.01   0.02    -0.01  -0.01  -0.02     0.01   0.01  -0.01
    27   6    -0.03  -0.00  -0.01     0.02  -0.00   0.01    -0.02  -0.00   0.01
    28   6     0.01  -0.01   0.00    -0.01   0.00  -0.00    -0.03   0.06  -0.01
    29   6     0.02   0.04  -0.01    -0.02  -0.01   0.01     0.00  -0.10   0.02
    30   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    31   8    -0.01  -0.00   0.00     0.02   0.00  -0.00     0.01  -0.01   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01   0.01  -0.01
    33   9    -0.01  -0.01   0.00     0.00   0.00  -0.00     0.01   0.02  -0.01
    34   9    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00    -0.01  -0.02  -0.01
    35   9    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01  -0.01  -0.01
    36   1    -0.20   0.24  -0.23     0.17  -0.21   0.21     0.06  -0.08   0.06
    37   1     0.17  -0.24   0.22    -0.13   0.19  -0.17     0.28  -0.25   0.35
    38   1    -0.08   0.34   0.10     0.07  -0.28  -0.07     0.03  -0.10  -0.06
    39   1     0.07  -0.20  -0.06    -0.06   0.14   0.03     0.05  -0.24  -0.09
    40   1    -0.12   0.00  -0.17     0.13   0.01   0.17     0.17   0.04   0.16
    41   1    -0.00   0.02   0.03    -0.00  -0.02  -0.04     0.00   0.03   0.06
    42   1     0.01   0.02   0.04    -0.01  -0.02  -0.04    -0.06   0.01   0.01
    43   1     0.02   0.01   0.02    -0.02  -0.01  -0.02    -0.04  -0.04  -0.04
    44   1     0.09   0.04  -0.02    -0.09  -0.04   0.02    -0.01  -0.00   0.00
    45   1    -0.04   0.00  -0.04     0.03  -0.01   0.05     0.03   0.01   0.02
    46   1    -0.02  -0.04  -0.04     0.02   0.04   0.03     0.04   0.03   0.02
    47   1     0.04   0.06   0.01    -0.03  -0.06  -0.01     0.02   0.04   0.02
    48   1     0.02  -0.05   0.02    -0.01   0.04  -0.01     0.04  -0.08  -0.01
    49   1     0.05   0.07  -0.04    -0.04  -0.07   0.04     0.08  -0.05  -0.02
    50   1     0.01   0.02  -0.04     0.01   0.02  -0.05     0.06  -0.01   0.01
    51   1    -0.00   0.02  -0.02     0.00   0.02  -0.04    -0.00  -0.03   0.06
    52   1     0.01   0.01  -0.01     0.02   0.01  -0.02     0.04   0.04  -0.04
    53   1    -0.01  -0.03   0.03    -0.02  -0.04   0.04    -0.04  -0.03   0.02
    54   1    -0.03   0.00   0.04    -0.04   0.01   0.05    -0.03  -0.01   0.02
    55   1     0.07   0.03   0.02     0.10   0.05   0.03     0.01   0.00   0.00
    56   1    -0.07   0.29  -0.08    -0.08   0.33  -0.09    -0.03   0.10  -0.06
    57   1     0.07  -0.18   0.05     0.07  -0.17   0.04    -0.05   0.24  -0.09
    58   1     0.15  -0.21  -0.19     0.16  -0.23  -0.20    -0.28   0.25   0.35
    59   1    -0.17   0.21   0.19    -0.21   0.25   0.24    -0.06   0.08   0.06
    60   1    -0.10   0.00   0.14    -0.15  -0.01   0.20    -0.17  -0.04   0.16
    61   1     0.01  -0.04  -0.02     0.01  -0.04  -0.02    -0.04   0.09  -0.01
    62   1     0.03   0.05  -0.01     0.04   0.07  -0.01    -0.02  -0.04   0.02
    63   1     0.04   0.06   0.03     0.04   0.08   0.04    -0.08   0.05  -0.02
                    121                    122                    123
                      A                      A                      A
 Frequencies --   1296.7547              1315.6753              1316.4164
 Red. masses --      2.1166                 2.1902                 2.1804
 Frc consts  --      2.0970                 2.2337                 2.2262
 IR Inten    --    251.1811                 0.2477                50.2295
 RamAct Fr= 1--      4.0957                31.6653                 2.0502
  Dep-P Fr= 1--      0.7500                 0.7366                 0.7498
  Dep-U Fr= 1--      0.8571                 0.8484                 0.8570
 Alpha2 Fr= 1--      0.0000                 0.0072                 0.0000
 Beta2  Fr= 1--      0.5851                 4.4772                 0.2928
 AlphaG Fr= 1--      0.0000                -0.0119                 0.0000
 Gamma2 Fr= 1--    -18.9815               -19.8269                16.2888
 Delta2 Fr= 1--      1.3736                -9.5316                 2.4839
 Raman1 Fr= 1--      16.383                126.661                  8.201
 ROA1   Fr= 1--   -1778.269              -2208.397               1643.207
 CID1   Fr= 1--    -108.545                -17.435                200.372
 Raman2 Fr= 1--       7.021                 53.727                  3.514
 ROA2   Fr= 1--    -466.545               -399.593                371.059
 CID2   Fr= 1--     -66.448                 -7.438                105.589
 Raman3 Fr= 1--      14.042                107.453                  7.028
 ROA3   Fr= 1--   -1778.269              -2208.397               1643.207
 CID3   Fr= 1--    -126.636                -20.552                233.797
 RC180  Fr= 1--       0.714                  0.697                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.03  -0.06    -0.01  -0.04   0.01     0.01   0.05  -0.01
     2   6    -0.01  -0.03   0.04     0.09   0.06   0.05    -0.09  -0.07  -0.05
     3   6    -0.01   0.04   0.00    -0.01  -0.00   0.00     0.01   0.01  -0.00
     4   6    -0.02  -0.06  -0.01    -0.01   0.01   0.00     0.01  -0.01  -0.00
     5   6     0.07   0.03   0.03     0.05   0.01   0.04    -0.05  -0.02  -0.04
     6   6    -0.05   0.03   0.06    -0.01   0.00  -0.01     0.01   0.00   0.02
     7   6    -0.06  -0.01  -0.04    -0.12  -0.02  -0.08     0.11   0.03   0.08
     8   8     0.01   0.01   0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.01  -0.01  -0.00    -0.01   0.01   0.00     0.01  -0.01  -0.00
    11   6    -0.02   0.06   0.01     0.02  -0.05  -0.01    -0.02   0.05   0.01
    12   6    -0.00  -0.10  -0.02     0.00   0.06   0.01    -0.01  -0.07  -0.01
    13   9    -0.00   0.01  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.02  -0.00  -0.02    -0.02   0.00  -0.02     0.02  -0.00   0.02
    15   6     0.01   0.00   0.01     0.03  -0.00   0.02    -0.03   0.00  -0.02
    16   6     0.02  -0.00   0.01     0.04   0.01   0.03    -0.04  -0.01  -0.03
    17   8     0.01   0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    18   6    -0.02  -0.06   0.01     0.01  -0.01   0.00     0.01  -0.01   0.00
    19   6     0.07   0.03  -0.03    -0.05  -0.01   0.04    -0.05  -0.02   0.04
    20   6    -0.06  -0.01   0.04     0.12   0.02  -0.08     0.11   0.03  -0.08
    21   6    -0.01  -0.03  -0.04    -0.09  -0.06   0.05    -0.09  -0.06   0.05
    22   6    -0.01   0.04  -0.00     0.01   0.00   0.00     0.01   0.01   0.00
    23   6     0.00   0.03   0.06     0.01   0.04   0.01     0.01   0.04   0.01
    24   6    -0.05   0.03  -0.06     0.01  -0.00  -0.01     0.01   0.00  -0.02
    25   6     0.02  -0.00  -0.01    -0.04  -0.01   0.03    -0.03  -0.01   0.03
    26   6     0.01   0.00  -0.01    -0.03   0.00   0.02    -0.02   0.00   0.02
    27   6    -0.02  -0.00   0.02     0.02  -0.00  -0.02     0.02  -0.00  -0.02
    28   6    -0.02   0.06  -0.01    -0.02   0.05  -0.01    -0.02   0.05  -0.01
    29   6    -0.00  -0.10   0.02    -0.01  -0.06   0.01    -0.01  -0.06   0.01
    30   9    -0.00   0.01   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.01  -0.01   0.00     0.02  -0.01   0.00     0.01  -0.01   0.00
    32   9    -0.01   0.01  -0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9     0.02   0.02  -0.01     0.01   0.01  -0.00     0.01   0.02  -0.00
    34   9     0.02   0.02   0.01    -0.01  -0.01  -0.00     0.01   0.02   0.00
    35   9    -0.01   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.07  -0.08   0.07     0.02  -0.02   0.08     0.03  -0.03   0.09
    37   1     0.28  -0.25   0.36    -0.03   0.02  -0.07    -0.02   0.00  -0.05
    38   1     0.03  -0.11  -0.07     0.00  -0.00   0.06     0.01  -0.02   0.05
    39   1     0.05  -0.22  -0.08     0.01  -0.26  -0.19     0.01  -0.26  -0.19
    40   1     0.16   0.03   0.17     0.33   0.28  -0.25     0.32   0.27  -0.24
    41   1     0.00   0.04   0.06    -0.02  -0.03  -0.13    -0.02  -0.03  -0.13
    42   1    -0.07   0.01   0.01     0.12  -0.02   0.01     0.11  -0.02   0.01
    43   1    -0.04  -0.04  -0.04     0.08   0.09   0.01     0.07   0.09   0.01
    44   1    -0.01   0.00   0.00     0.03  -0.01  -0.00     0.02  -0.00  -0.00
    45   1     0.04   0.01   0.02    -0.09  -0.02  -0.05    -0.08  -0.02  -0.05
    46   1     0.04   0.03   0.02    -0.04  -0.07  -0.06    -0.04  -0.06  -0.06
    47   1     0.01   0.04   0.01    -0.00  -0.05   0.00    -0.00  -0.04  -0.00
    48   1     0.04  -0.09  -0.01    -0.04   0.09   0.03    -0.04   0.08   0.02
    49   1     0.08  -0.05  -0.02    -0.08   0.04   0.02    -0.08   0.04   0.02
    50   1    -0.07   0.01  -0.01    -0.12   0.02   0.01     0.11  -0.02  -0.01
    51   1     0.00   0.04  -0.06     0.02   0.03  -0.13    -0.02  -0.03   0.13
    52   1    -0.04  -0.04   0.04    -0.07  -0.09   0.01     0.07   0.09  -0.01
    53   1     0.04   0.03  -0.02     0.04   0.06  -0.06    -0.04  -0.06   0.06
    54   1     0.04   0.01  -0.02     0.08   0.02  -0.05    -0.08  -0.02   0.06
    55   1    -0.01   0.00  -0.00    -0.03   0.01  -0.00     0.03  -0.00   0.00
    56   1     0.03  -0.11   0.07    -0.00   0.00   0.06     0.01  -0.02  -0.05
    57   1     0.04  -0.22   0.08    -0.01   0.25  -0.18     0.01  -0.27   0.19
    58   1     0.28  -0.25  -0.36     0.03  -0.02  -0.07    -0.02   0.00   0.05
    59   1     0.07  -0.08  -0.07    -0.02   0.02   0.08     0.03  -0.03  -0.09
    60   1     0.16   0.03  -0.17    -0.32  -0.28  -0.25     0.33   0.28   0.25
    61   1     0.04  -0.09   0.01     0.04  -0.08   0.03    -0.04   0.08  -0.02
    62   1     0.02   0.04  -0.01     0.00   0.05   0.00    -0.00  -0.04   0.00
    63   1     0.08  -0.05   0.02     0.08  -0.04   0.02    -0.08   0.04  -0.02
                    124                    125                    126
                      A                      A                      A
 Frequencies --   1330.2987              1330.3971              1356.0026
 Red. masses --      1.5815                 1.5829                 2.9857
 Frc consts  --      1.6490                 1.6507                 3.2345
 IR Inten    --      3.9791                 9.5510                 0.1295
 RamAct Fr= 1--     11.8329                 6.3651                20.2349
  Dep-P Fr= 1--      0.7070                 0.7350                 0.6805
  Dep-U Fr= 1--      0.8284                 0.8472                 0.8099
 Alpha2 Fr= 1--      0.0088                 0.0016                 0.0248
 Beta2  Fr= 1--      1.6337                 0.8988                 2.7313
 AlphaG Fr= 1--     -0.0431                -0.0074                -0.2057
 Gamma2 Fr= 1--     12.0071               -20.2522                 2.0706
 Delta2 Fr= 1--      7.3559                -9.5616                11.0332
 Raman1 Fr= 1--      47.332                 25.460                 80.939
 ROA1   Fr= 1--    1388.066              -2250.180                551.843
 CID1   Fr= 1--      29.326                -88.380                  6.818
 Raman2 Fr= 1--      19.604                 10.785                 32.775
 ROA2   Fr= 1--     229.323               -409.559                -38.570
 CID2   Fr= 1--      11.697                -37.973                 -1.177
 Raman3 Fr= 1--      39.209                 21.571                 65.550
 ROA3   Fr= 1--    1388.066              -2250.180                551.843
 CID3   Fr= 1--      35.402               -104.315                  8.419
 RC180  Fr= 1--       0.657                  0.694                  0.620
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.05  -0.02     0.04  -0.12   0.05    -0.02   0.01   0.01
     2   6     0.04  -0.01  -0.02    -0.10   0.02   0.05     0.04  -0.01  -0.02
     3   6    -0.02   0.00   0.00     0.04  -0.01  -0.00    -0.04   0.01   0.00
     4   6     0.00   0.01   0.00    -0.01  -0.02  -0.00    -0.01  -0.11  -0.02
     5   6    -0.00  -0.00  -0.01     0.00   0.01   0.02     0.01   0.21   0.04
     6   6    -0.01  -0.00   0.01     0.01   0.01  -0.02     0.04  -0.08  -0.06
     7   6    -0.01   0.01   0.01     0.02  -0.02  -0.03     0.00  -0.06   0.01
     8   8     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00   0.02   0.00
     9  29     0.00   0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    10   8     0.00   0.00   0.00    -0.00  -0.01  -0.00     0.05  -0.00  -0.00
    11   6     0.00  -0.02  -0.00    -0.01   0.06   0.01    -0.07   0.05   0.01
    12   6    -0.00   0.02   0.00     0.00  -0.05  -0.01     0.01  -0.04  -0.01
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.00   0.00   0.00     0.00  -0.00  -0.01    -0.00  -0.04   0.00
    15   6     0.00  -0.01  -0.01    -0.00   0.01   0.01    -0.02   0.02  -0.01
    16   6     0.00  -0.00  -0.00    -0.00   0.01   0.01    -0.01   0.02  -0.01
    17   8    -0.01   0.01  -0.00    -0.00   0.00  -0.00    -0.00  -0.02   0.00
    18   6    -0.01  -0.02   0.00    -0.00  -0.01   0.00     0.01   0.11  -0.02
    19   6     0.00   0.01  -0.02     0.00   0.00  -0.01    -0.01  -0.20   0.04
    20   6     0.02  -0.02   0.03     0.01  -0.01   0.01    -0.00   0.06   0.01
    21   6    -0.10   0.02  -0.05    -0.04   0.01  -0.02    -0.04   0.01  -0.02
    22   6     0.04  -0.01   0.00     0.02  -0.00   0.00     0.04  -0.01   0.00
    23   6     0.04  -0.12  -0.05     0.02  -0.05  -0.02     0.02  -0.01   0.01
    24   6     0.02   0.01   0.03     0.01   0.00   0.01    -0.04   0.07  -0.06
    25   6    -0.00   0.01  -0.01    -0.00   0.00  -0.00     0.00  -0.02  -0.01
    26   6    -0.00   0.01  -0.01    -0.00   0.01  -0.00     0.02  -0.02  -0.01
    27   6    -0.00  -0.00   0.01     0.00  -0.00   0.00     0.00   0.04   0.00
    28   6    -0.01   0.06  -0.01    -0.00   0.02  -0.00     0.06  -0.05   0.01
    29   6     0.00  -0.05   0.01     0.00  -0.02   0.00    -0.01   0.04  -0.01
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.00  -0.01   0.00    -0.00  -0.00   0.00    -0.05   0.00  -0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    33   9     0.01   0.01  -0.00     0.00   0.01  -0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.01   0.01   0.00     0.00   0.01   0.00
    35   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   1    -0.04   0.07  -0.03    -0.01   0.03  -0.01     0.25  -0.24   0.32
    37   1    -0.03   0.04  -0.02    -0.01   0.01  -0.01     0.12  -0.18   0.17
    38   1    -0.05   0.50   0.34    -0.02   0.21   0.14     0.01   0.05   0.05
    39   1    -0.04   0.35   0.22    -0.02   0.14   0.09    -0.01   0.00   0.00
    40   1     0.31   0.19   0.35     0.14   0.08   0.14     0.06   0.04   0.12
    41   1     0.01  -0.02  -0.00     0.00  -0.01  -0.00    -0.02   0.05  -0.01
    42   1    -0.01  -0.01  -0.02    -0.00  -0.00  -0.01    -0.03   0.03   0.05
    43   1    -0.01  -0.02   0.02    -0.00  -0.01   0.01     0.01   0.00  -0.02
    44   1    -0.02  -0.05   0.02    -0.01  -0.02   0.01    -0.09   0.04   0.01
    45   1    -0.02  -0.03   0.04    -0.01  -0.01   0.02     0.00  -0.02  -0.00
    46   1     0.03   0.02  -0.00     0.01   0.01  -0.00    -0.08   0.03   0.04
    47   1    -0.01   0.01  -0.01    -0.01   0.01  -0.01    -0.06   0.08  -0.11
    48   1     0.00  -0.01  -0.03     0.00  -0.00  -0.01    -0.06   0.12  -0.10
    49   1     0.02  -0.02   0.00     0.01  -0.01   0.00    -0.03   0.08   0.01
    50   1     0.00   0.00  -0.01    -0.01  -0.01   0.02     0.03  -0.03   0.05
    51   1    -0.00   0.01  -0.00     0.01  -0.02   0.01     0.02  -0.05  -0.01
    52   1     0.00   0.01   0.01    -0.01  -0.02  -0.02    -0.01  -0.00  -0.02
    53   1    -0.01  -0.01  -0.00     0.03   0.01   0.00     0.09  -0.03   0.04
    54   1     0.01   0.01   0.02    -0.02  -0.03  -0.04    -0.00   0.02  -0.00
    55   1     0.01   0.02   0.01    -0.02  -0.05  -0.02     0.09  -0.04   0.01
    56   1     0.02  -0.21   0.14    -0.05   0.50  -0.34    -0.01  -0.05   0.05
    57   1     0.02  -0.15   0.09    -0.04   0.34  -0.22     0.01  -0.00   0.00
    58   1     0.01  -0.02  -0.01    -0.03   0.04   0.02    -0.12   0.18   0.17
    59   1     0.02  -0.03  -0.02    -0.04   0.07   0.03    -0.26   0.24   0.32
    60   1    -0.13  -0.08   0.14     0.32   0.19  -0.34    -0.06  -0.04   0.13
    61   1    -0.00   0.00  -0.01     0.00  -0.01   0.03     0.06  -0.12  -0.10
    62   1     0.00  -0.01  -0.01    -0.01   0.01   0.02     0.06  -0.09  -0.11
    63   1    -0.01   0.01   0.00     0.02  -0.02  -0.00     0.03  -0.08   0.01
                    127                    128                    129
                      A                      A                      A
 Frequencies --   1356.8381              1408.5810              1408.6872
 Red. masses --      3.0367                 1.2417                 1.2427
 Frc consts  --      3.2939                 1.4515                 1.4530
 IR Inten    --     72.6819                 4.4711                 3.2950
 RamAct Fr= 1--      4.5631                 0.1088                 0.5638
  Dep-P Fr= 1--      0.7500                 0.7392                 0.1809
  Dep-U Fr= 1--      0.8571                 0.8500                 0.3064
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0081
 Beta2  Fr= 1--      0.6519                 0.0154                 0.0288
 AlphaG Fr= 1--     -0.0000                -0.0001                -0.0152
 Gamma2 Fr= 1--    -15.7653                 0.0920                 0.2328
 Delta2 Fr= 1--    -19.9354                 0.1542                -0.0660
 Raman1 Fr= 1--      18.252                  0.435                  2.255
 ROA1   Fr= 1--   -2151.402                 13.762                 20.240
 CID1   Fr= 1--    -117.869                 31.632                  8.974
 Raman2 Fr= 1--       7.822                  0.185                  0.346
 ROA2   Fr= 1--    -218.884                  0.974                  6.116
 CID2   Fr= 1--     -27.982                  5.268                 17.699
 Raman3 Fr= 1--      15.645                  0.370                  0.691
 ROA3   Fr= 1--   -2151.402                 13.762                 20.240
 CID3   Fr= 1--    -137.516                 37.213                 29.287
 RC180  Fr= 1--       0.714                  0.700                 -0.387
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.02   0.01   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
     2   6     0.04  -0.01  -0.02    -0.01  -0.00   0.00     0.01   0.00  -0.00
     3   6    -0.04   0.01   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6    -0.02  -0.11  -0.02     0.00   0.00   0.00    -0.00  -0.00  -0.00
     5   6     0.01   0.20   0.04    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6     0.04  -0.08  -0.06     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.01  -0.06   0.01     0.02   0.01  -0.01    -0.01  -0.01   0.01
     8   8     0.01   0.02   0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8     0.04  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.06   0.05   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.01  -0.04  -0.01    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.00  -0.04   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    15   6    -0.02   0.02  -0.01    -0.07  -0.03  -0.01     0.06   0.02   0.01
    16   6    -0.01   0.02  -0.01    -0.02  -0.02   0.07     0.02   0.02  -0.06
    17   8     0.01   0.02  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   6    -0.02  -0.12   0.02     0.00   0.00  -0.00     0.01   0.00  -0.00
    19   6     0.01   0.21  -0.04    -0.00  -0.00   0.00    -0.00  -0.01   0.00
    20   6     0.01  -0.06  -0.01     0.01   0.01   0.01     0.02   0.01   0.01
    21   6     0.04  -0.01   0.02    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00
    22   6    -0.05   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6    -0.02   0.01  -0.01     0.00  -0.00   0.00     0.00  -0.00   0.00
    24   6     0.04  -0.08   0.06     0.00   0.00  -0.00     0.00   0.00  -0.00
    25   6    -0.01   0.02   0.01    -0.02  -0.02  -0.06    -0.02  -0.02  -0.07
    26   6    -0.02   0.02   0.01    -0.06  -0.02   0.01    -0.07  -0.03   0.01
    27   6    -0.00  -0.04  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    28   6    -0.06   0.06  -0.01    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6     0.01  -0.05   0.01    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    31   8     0.05  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    32   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9     0.01   0.01  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9     0.00   0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1    -0.26   0.24  -0.32     0.02  -0.01  -0.00     0.02  -0.02  -0.00
    37   1    -0.12   0.18  -0.17    -0.02  -0.02  -0.01    -0.02  -0.03  -0.01
    38   1    -0.01  -0.05  -0.04     0.00   0.01  -0.01     0.00   0.02  -0.01
    39   1     0.02  -0.01  -0.00    -0.02  -0.00  -0.01    -0.03  -0.00  -0.02
    40   1    -0.04  -0.03  -0.13     0.01   0.00   0.00     0.01   0.00   0.01
    41   1     0.02  -0.05   0.01    -0.03   0.02   0.24    -0.04   0.02   0.28
    42   1     0.03  -0.03  -0.05     0.08   0.16   0.20     0.09   0.18   0.23
    43   1    -0.01   0.00   0.02     0.14  -0.02   0.22     0.16  -0.02   0.24
    44   1     0.09  -0.04  -0.01     0.21   0.06  -0.13     0.24   0.06  -0.14
    45   1    -0.01   0.02   0.00     0.20   0.20   0.00     0.23   0.23   0.00
    46   1     0.08  -0.03  -0.05     0.28   0.00   0.03     0.32   0.00   0.03
    47   1     0.06  -0.09   0.11    -0.02  -0.01  -0.02    -0.02  -0.01  -0.02
    48   1     0.06  -0.12   0.10     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    49   1     0.03  -0.08  -0.01    -0.01   0.01   0.01    -0.02   0.01   0.01
    50   1     0.03  -0.03   0.05     0.09   0.18  -0.23    -0.08  -0.16   0.20
    51   1     0.02  -0.05  -0.01    -0.04   0.02  -0.28     0.03  -0.02   0.24
    52   1    -0.01   0.00  -0.02     0.16  -0.02  -0.25    -0.14   0.02   0.22
    53   1     0.08  -0.03   0.05     0.32   0.00  -0.03    -0.28  -0.00   0.03
    54   1    -0.01   0.02  -0.00     0.23   0.23  -0.00    -0.20  -0.20   0.00
    55   1     0.09  -0.04   0.01     0.24   0.06   0.14    -0.21  -0.06  -0.13
    56   1    -0.01  -0.05   0.04     0.00   0.02   0.01    -0.00  -0.01  -0.01
    57   1     0.01  -0.01   0.00    -0.03  -0.00   0.01     0.02   0.00  -0.01
    58   1    -0.12   0.18   0.17    -0.02  -0.03   0.01     0.02   0.02  -0.01
    59   1    -0.25   0.24   0.31     0.02  -0.01   0.00    -0.02   0.01  -0.00
    60   1    -0.04  -0.03   0.13     0.01   0.00  -0.01    -0.01  -0.00   0.01
    61   1     0.06  -0.12  -0.10     0.01  -0.01   0.01    -0.01   0.01  -0.01
    62   1     0.06  -0.09  -0.11    -0.02  -0.01   0.02     0.02   0.01  -0.02
    63   1     0.03  -0.08   0.01    -0.02   0.01  -0.01     0.01  -0.00   0.01
                    130                    131                    132
                      A                      A                      A
 Frequencies --   1418.9216              1418.9383              1429.4292
 Red. masses --      1.2957                 1.2962                 1.2448
 Frc consts  --      1.5370                 1.5376                 1.4986
 IR Inten    --     13.1720                 9.7301                16.4723
 RamAct Fr= 1--      0.3969                 0.4144                 4.0714
  Dep-P Fr= 1--      0.3298                 0.2785                 0.0643
  Dep-U Fr= 1--      0.4960                 0.4357                 0.1208
 Alpha2 Fr= 1--      0.0037                 0.0045                 0.0777
 Beta2  Fr= 1--      0.0328                 0.0301                 0.0820
 AlphaG Fr= 1--      0.0106                 0.0149                 0.1283
 Gamma2 Fr= 1--     -0.0843                -0.0442                 0.7521
 Delta2 Fr= 1--     -0.1884                -0.1319                -0.0453
 Raman1 Fr= 1--       1.588                  1.657                 16.285
 ROA1   Fr= 1--     -14.117                 -8.463                 70.753
 CID1   Fr= 1--      -8.892                 -5.106                  4.345
 Raman2 Fr= 1--       0.394                  0.361                  0.984
 ROA2   Fr= 1--      -0.515                 -0.005                 18.414
 CID2   Fr= 1--      -1.308                 -0.014                 18.713
 Raman3 Fr= 1--       0.788                  0.722                  1.968
 ROA3   Fr= 1--     -14.117                 -8.463                 70.753
 CID3   Fr= 1--     -17.925                -11.719                 35.952
 RC180  Fr= 1--      -0.008                 -0.129                 -0.758
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
     2   6     0.01  -0.01  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.01
     3   6    -0.01  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
     4   6    -0.02  -0.01  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.00
     5   6    -0.00   0.04   0.02     0.00  -0.00  -0.00     0.00   0.01   0.01
     6   6     0.00  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.01  -0.01     0.00   0.00   0.00     0.00  -0.00   0.00
     8   8     0.01  -0.00   0.00    -0.00   0.00  -0.00     0.01  -0.00   0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.01   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.02  -0.01  -0.00
    12   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.03  -0.13  -0.05    -0.00   0.01   0.00     0.00  -0.04  -0.02
    15   6     0.03   0.01   0.01    -0.00  -0.00  -0.00    -0.06  -0.02  -0.01
    16   6    -0.01  -0.01   0.04     0.00   0.00  -0.00     0.02   0.01  -0.06
    17   8     0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.01   0.00   0.00
    18   6    -0.00  -0.00   0.00    -0.02  -0.01   0.00     0.02   0.00  -0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.04  -0.02    -0.00  -0.00   0.01
    20   6    -0.00  -0.00   0.00    -0.00  -0.01   0.01    -0.00   0.00   0.00
    21   6     0.00  -0.00   0.00     0.01  -0.01   0.00    -0.00   0.00   0.01
    22   6    -0.00  -0.00  -0.00    -0.01  -0.00  -0.00     0.00  -0.01   0.00
    23   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    24   6     0.00  -0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    25   6    -0.00  -0.00  -0.00    -0.01  -0.01  -0.04    -0.01  -0.01  -0.06
    26   6     0.00   0.00  -0.00     0.03   0.01  -0.01     0.05   0.02  -0.01
    27   6     0.00  -0.01   0.00     0.03  -0.13   0.05    -0.00   0.03  -0.01
    28   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    32   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    36   1    -0.00   0.00  -0.00    -0.01   0.01  -0.02    -0.01   0.01   0.02
    37   1     0.00   0.00   0.00     0.01   0.00   0.00     0.01   0.03  -0.00
    38   1     0.00  -0.00  -0.00     0.00  -0.02  -0.00    -0.00  -0.01   0.02
    39   1     0.00  -0.00  -0.00     0.01  -0.02  -0.01     0.02  -0.01  -0.00
    40   1    -0.00  -0.00  -0.00     0.00  -0.01  -0.00    -0.01   0.00  -0.02
    41   1    -0.00   0.00   0.01    -0.02   0.01   0.15    -0.03   0.01   0.25
    42   1     0.00   0.01   0.01     0.01   0.12   0.14     0.06   0.17   0.20
    43   1     0.01  -0.00   0.01     0.07  -0.05   0.17     0.12  -0.03   0.22
    44   1    -0.01  -0.00   0.01    -0.10  -0.03   0.06    -0.19  -0.05   0.11
    45   1    -0.01  -0.01   0.00    -0.11  -0.13   0.04    -0.17  -0.19   0.02
    46   1    -0.01   0.00   0.00    -0.16   0.03   0.01    -0.25   0.02  -0.01
    47   1     0.01   0.03  -0.03     0.08   0.44  -0.32    -0.02  -0.11   0.08
    48   1    -0.03   0.03  -0.01    -0.33   0.38  -0.14     0.09  -0.11   0.07
    49   1    -0.00   0.04   0.00    -0.04   0.48   0.01    -0.02  -0.14   0.01
    50   1     0.01   0.12  -0.14    -0.00  -0.01   0.01    -0.07  -0.18   0.22
    51   1    -0.02   0.01  -0.15     0.00  -0.00   0.01     0.03  -0.01   0.27
    52   1     0.07  -0.05  -0.17    -0.01   0.00   0.01    -0.14   0.04   0.24
    53   1    -0.16   0.03  -0.01     0.01  -0.00   0.00     0.28  -0.02  -0.01
    54   1    -0.11  -0.13  -0.04     0.01   0.01   0.00     0.19   0.21   0.02
    55   1    -0.10  -0.03  -0.06     0.01   0.00   0.00     0.21   0.05   0.12
    56   1     0.00  -0.02   0.00    -0.00   0.00  -0.00     0.00   0.01   0.02
    57   1     0.01  -0.02   0.01    -0.00   0.00  -0.00    -0.02   0.01  -0.00
    58   1     0.01   0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.03  -0.00
    59   1    -0.01   0.01   0.01     0.00  -0.00  -0.00     0.02  -0.01   0.02
    60   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.01  -0.00  -0.03
    61   1    -0.33   0.38   0.14     0.03  -0.03  -0.01    -0.10   0.12   0.07
    62   1     0.08   0.44   0.32    -0.01  -0.04  -0.03     0.03   0.13   0.08
    63   1    -0.04   0.48  -0.01     0.00  -0.04   0.00     0.02   0.16   0.01
                    133                    134                    135
                      A                      A                      A
 Frequencies --   1429.5443              1458.3969              1471.5108
 Red. masses --      1.2313                 6.3456                 5.8097
 Frc consts  --      1.4825                 7.9520                 7.4119
 IR Inten    --     14.7234                 0.4997                92.9174
 RamAct Fr= 1--      0.2997                29.9890                 2.4142
  Dep-P Fr= 1--      0.7093                 0.7446                 0.7500
  Dep-U Fr= 1--      0.8300                 0.8536                 0.8571
 Alpha2 Fr= 1--      0.0002                 0.0028                 0.0000
 Beta2  Fr= 1--      0.0415                 4.2663                 0.3449
 AlphaG Fr= 1--      0.0002                 0.0180                -0.0000
 Gamma2 Fr= 1--     -1.4896                31.7316               -47.2014
 Delta2 Fr= 1--      0.1201                11.4063                -0.0981
 Raman1 Fr= 1--       1.199                119.956                  9.657
 ROA1   Fr= 1--    -139.160               3411.237              -4534.471
 CID1   Fr= 1--    -116.070                 28.437               -469.564
 Raman2 Fr= 1--       0.498                 51.196                  4.139
 ROA2   Fr= 1--     -36.712                670.308              -1132.048
 CID2   Fr= 1--     -73.788                 13.093               -273.534
 Raman3 Fr= 1--       0.995                102.391                  8.277
 ROA3   Fr= 1--    -139.160               3411.237              -4534.471
 CID3   Fr= 1--    -139.850                 33.316               -547.827
 RC180  Fr= 1--       0.660                  0.707                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.01  -0.01    -0.00   0.01   0.01
     2   6     0.00   0.00   0.01     0.01   0.06   0.01    -0.01  -0.06  -0.01
     3   6    -0.00   0.01   0.00     0.04  -0.13  -0.01    -0.03   0.15   0.02
     4   6    -0.01  -0.00  -0.00     0.22   0.06   0.01    -0.18  -0.07  -0.01
     5   6     0.00   0.00   0.00    -0.02  -0.05  -0.01     0.01   0.04   0.01
     6   6    -0.00   0.00  -0.00    -0.01   0.03   0.01     0.01  -0.03   0.00
     7   6     0.00  -0.00   0.00    -0.02   0.00  -0.01     0.01  -0.00   0.01
     8   8     0.01  -0.00   0.00    -0.13   0.03   0.00     0.11  -0.02   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.01   0.00   0.00     0.18  -0.00   0.00    -0.18   0.01   0.00
    11   6     0.01  -0.01  -0.00    -0.30   0.04   0.00     0.28  -0.07  -0.01
    12   6    -0.00   0.00  -0.00     0.04  -0.02  -0.00    -0.03   0.04   0.00
    13   9     0.00  -0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    14   6     0.00  -0.03  -0.02     0.02  -0.01  -0.01    -0.02   0.00   0.01
    15   6    -0.05  -0.02  -0.01    -0.01  -0.01   0.01     0.00   0.00  -0.01
    16   6     0.01   0.01  -0.06     0.01  -0.00  -0.02    -0.01   0.00   0.02
    17   8     0.01  -0.00  -0.00     0.13  -0.03   0.00     0.11  -0.02  -0.00
    18   6    -0.01  -0.00   0.00    -0.22  -0.06   0.01    -0.18  -0.07   0.01
    19   6     0.00   0.00  -0.01     0.02   0.05  -0.01     0.01   0.04  -0.01
    20   6     0.00  -0.00  -0.00     0.02  -0.00  -0.01     0.01  -0.00  -0.01
    21   6     0.00  -0.00  -0.01    -0.01  -0.06   0.01    -0.01  -0.06   0.01
    22   6    -0.00   0.01  -0.00    -0.04   0.13  -0.01    -0.03   0.15  -0.02
    23   6     0.00  -0.00   0.00    -0.00   0.01  -0.01    -0.00   0.01  -0.01
    24   6    -0.00   0.00   0.00     0.01  -0.03   0.01     0.01  -0.03  -0.00
    25   6     0.02   0.01   0.06    -0.01   0.00  -0.02    -0.01   0.00  -0.02
    26   6    -0.06  -0.02   0.01     0.01   0.01   0.01     0.00   0.00   0.01
    27   6     0.00  -0.04   0.02    -0.02   0.01  -0.01    -0.02   0.00  -0.01
    28   6     0.02  -0.01   0.00     0.30  -0.04   0.00     0.28  -0.07   0.01
    29   6    -0.00   0.00   0.00    -0.04   0.02  -0.00    -0.03   0.04  -0.00
    30   9     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    31   8    -0.01   0.00  -0.00    -0.18   0.00   0.00    -0.18   0.01  -0.00
    32   9     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00  -0.00   0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
    35   9     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    36   1     0.02  -0.02  -0.02    -0.14   0.12   0.05    -0.15   0.12   0.09
    37   1    -0.01  -0.03   0.01     0.06   0.18   0.01     0.08   0.20   0.03
    38   1     0.00   0.01  -0.02    -0.01  -0.02   0.08    -0.01  -0.01   0.08
    39   1    -0.02   0.01   0.00     0.06  -0.04  -0.00     0.06  -0.03  -0.00
    40   1     0.01  -0.00   0.03     0.25   0.11  -0.04     0.24   0.11  -0.03
    41   1     0.03  -0.01  -0.27     0.01  -0.05   0.10     0.02  -0.08   0.07
    42   1    -0.07  -0.18  -0.22     0.07   0.08   0.10     0.06   0.07   0.09
    43   1    -0.14   0.04  -0.24     0.03  -0.03   0.09    -0.01  -0.05   0.07
    44   1     0.21   0.05  -0.12    -0.06  -0.02   0.04    -0.07   0.01   0.03
    45   1     0.19   0.21  -0.02    -0.05  -0.01  -0.06    -0.05   0.01  -0.10
    46   1     0.28  -0.02   0.01    -0.01  -0.04  -0.05     0.03  -0.05  -0.06
    47   1     0.03   0.13  -0.09     0.07  -0.05   0.14     0.11  -0.01   0.15
    48   1    -0.10   0.12  -0.08     0.03  -0.05   0.04    -0.01   0.01   0.03
    49   1     0.02   0.16  -0.01     0.09  -0.12  -0.04     0.12  -0.12  -0.05
    50   1    -0.06  -0.17   0.20    -0.07  -0.08   0.10     0.06   0.07  -0.09
    51   1     0.03  -0.01   0.24    -0.01   0.05   0.10     0.02  -0.08  -0.07
    52   1    -0.12   0.03   0.22    -0.03   0.03   0.09    -0.01  -0.05  -0.07
    53   1     0.25  -0.01  -0.01     0.01   0.04  -0.05     0.03  -0.05   0.06
    54   1     0.17   0.19   0.02     0.05   0.01  -0.06    -0.05   0.01   0.10
    55   1     0.19   0.05   0.11     0.06   0.02   0.04    -0.07   0.01  -0.03
    56   1     0.00   0.01   0.02     0.01   0.02   0.07    -0.01  -0.01  -0.08
    57   1    -0.02   0.01  -0.00    -0.06   0.04  -0.00     0.06  -0.03   0.00
    58   1    -0.01  -0.03  -0.00    -0.06  -0.18   0.01     0.08   0.20  -0.03
    59   1     0.02  -0.01   0.02     0.14  -0.12   0.05    -0.15   0.12  -0.09
    60   1     0.01  -0.00  -0.03    -0.25  -0.11  -0.04     0.24   0.11   0.03
    61   1    -0.09   0.11   0.07    -0.03   0.05   0.04    -0.01   0.01  -0.03
    62   1     0.02   0.12   0.08    -0.07   0.05   0.14     0.11  -0.01  -0.15
    63   1     0.02   0.14   0.01    -0.09   0.12  -0.04     0.12  -0.12   0.05
                    136                    137                    138
                      A                      A                      A
 Frequencies --   1485.0771              1485.1138              1485.6781
 Red. masses --      1.0573                 1.0636                 1.0540
 Frc consts  --      1.3739                 1.3821                 1.3706
 IR Inten    --      0.8962                 8.4423                 8.6248
 RamAct Fr= 1--     11.0437                10.4452                 0.5170
  Dep-P Fr= 1--      0.6982                 0.7472                 0.7440
  Dep-U Fr= 1--      0.8223                 0.8553                 0.8532
 Alpha2 Fr= 1--      0.0100                 0.0005                 0.0001
 Beta2  Fr= 1--      1.5135                 1.4890                 0.0735
 AlphaG Fr= 1--     -0.0274                -0.0015                 0.0003
 Gamma2 Fr= 1--     -1.1524                 0.2252                 1.9343
 Delta2 Fr= 1--     -3.0001                 0.1785                 1.7260
 Raman1 Fr= 1--      44.175                 41.781                  2.068
 ROA1   Fr= 1--    -206.632                 27.326                240.927
 CID1   Fr= 1--      -4.678                  0.654                116.495
 Raman2 Fr= 1--      18.162                 17.868                  0.882
 ROA2   Fr= 1--      -3.656                  3.976                 32.616
 CID2   Fr= 1--      -0.201                  0.223                 36.968
 Raman3 Fr= 1--      36.325                 35.737                  1.765
 ROA3   Fr= 1--    -206.632                 27.326                240.927
 CID3   Fr= 1--      -5.688                  0.765                136.535
 RC180  Fr= 1--       0.645                  0.711                  0.706
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.01     0.01  -0.01  -0.02     0.00  -0.00  -0.00
     2   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00   0.01   0.00     0.00  -0.01  -0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00     0.00   0.01   0.00    -0.01   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00  -0.01   0.00    -0.00  -0.01   0.01
     6   6    -0.00   0.01  -0.01     0.00  -0.02   0.01    -0.00   0.02  -0.01
     7   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.01  -0.00   0.01
     8   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01  -0.00   0.00
     9  29     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00     0.01  -0.00  -0.00    -0.00  -0.00  -0.00
    11   6     0.01  -0.00  -0.00    -0.02   0.01   0.00     0.00   0.00   0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    14   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.02
    15   6    -0.01   0.02   0.00     0.01  -0.03  -0.01    -0.00  -0.00   0.02
    16   6     0.01  -0.01  -0.00    -0.01   0.02   0.00    -0.02  -0.00  -0.01
    17   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    18   6     0.00   0.01  -0.00     0.00   0.01  -0.00    -0.01   0.00  -0.00
    19   6    -0.00  -0.01  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.01
    20   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.01  -0.00  -0.01
    21   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00  -0.01   0.00     0.00  -0.01   0.00    -0.00  -0.00  -0.00
    23   6     0.01  -0.01   0.02     0.01  -0.01   0.01     0.00  -0.00   0.00
    24   6     0.00  -0.02  -0.01     0.00  -0.01  -0.01    -0.00   0.01   0.01
    25   6    -0.01   0.02  -0.00    -0.01   0.01  -0.00    -0.02  -0.00   0.01
    26   6     0.01  -0.03   0.01     0.01  -0.02   0.00    -0.00  -0.00  -0.02
    27   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.01  -0.00  -0.02
    28   6    -0.01   0.01  -0.00    -0.01   0.01  -0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    30   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    31   8     0.01  -0.00   0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    36   1    -0.11   0.08   0.15    -0.07   0.05   0.09     0.06  -0.04  -0.07
    37   1     0.11   0.17   0.06     0.07   0.10   0.04    -0.06  -0.09  -0.03
    38   1     0.02   0.11  -0.16     0.01   0.07  -0.10     0.00  -0.00   0.00
    39   1    -0.19   0.02  -0.07    -0.12   0.01  -0.04    -0.00   0.00   0.00
    40   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.01   0.00   0.01
    41   1     0.12  -0.31   0.06     0.08  -0.19   0.04     0.00  -0.04   0.13
    42   1     0.24   0.05   0.06     0.16   0.03   0.03     0.20  -0.06  -0.06
    43   1    -0.18  -0.08  -0.10    -0.11  -0.05  -0.07     0.05   0.13  -0.12
    44   1    -0.17   0.36  -0.06    -0.10   0.23  -0.04     0.12   0.02  -0.07
    45   1    -0.17  -0.06  -0.23    -0.11  -0.04  -0.14     0.02  -0.09   0.19
    46   1     0.18   0.12   0.17     0.11   0.08   0.11    -0.09   0.12   0.13
    47   1     0.02   0.00   0.02     0.01   0.00   0.01     0.17   0.12   0.11
    48   1    -0.01   0.01  -0.03    -0.01   0.01  -0.02    -0.08   0.12   0.14
    49   1     0.04   0.01  -0.02     0.02   0.00  -0.01     0.06  -0.15  -0.02
    50   1    -0.15  -0.03   0.03     0.25   0.04  -0.05     0.27  -0.08   0.09
    51   1    -0.08   0.19   0.04     0.12  -0.31  -0.07    -0.00  -0.05  -0.18
    52   1     0.11   0.05  -0.06    -0.17  -0.07   0.11     0.07   0.17   0.16
    53   1    -0.11  -0.07   0.11     0.17   0.13  -0.18    -0.12   0.16  -0.18
    54   1     0.11   0.03  -0.14    -0.17  -0.06   0.22     0.03  -0.12  -0.26
    55   1     0.10  -0.23  -0.04    -0.16   0.37   0.07     0.16   0.03   0.09
    56   1    -0.01  -0.07  -0.10     0.02   0.11   0.16     0.00  -0.00  -0.01
    57   1     0.12  -0.01  -0.04    -0.19   0.02   0.07     0.00   0.00  -0.00
    58   1    -0.07  -0.11   0.04     0.11   0.16  -0.06    -0.08  -0.12   0.04
    59   1     0.07  -0.05   0.09    -0.11   0.08  -0.14     0.09  -0.06   0.10
    60   1     0.01   0.00  -0.00    -0.02  -0.01   0.00     0.01   0.00  -0.01
    61   1     0.01  -0.01  -0.02    -0.02   0.02   0.02    -0.11   0.16  -0.19
    62   1    -0.01  -0.00   0.02     0.02   0.01  -0.02     0.24   0.16  -0.15
    63   1    -0.03  -0.00  -0.01     0.04   0.00   0.02     0.08  -0.21   0.03
                    139                    140                    141
                      A                      A                      A
 Frequencies --   1485.7114              1493.5813              1493.6652
 Red. masses --      1.0533                 1.0485                 1.0484
 Frc consts  --      1.3698                 1.3781                 1.3782
 IR Inten    --      3.8464                 0.9334                 3.7073
 RamAct Fr= 1--      1.3411                 9.7590                 5.2559
  Dep-P Fr= 1--      0.6886                 0.7500                 0.7456
  Dep-U Fr= 1--      0.8156                 0.8571                 0.8543
 Alpha2 Fr= 1--      0.0014                 0.0000                 0.0004
 Beta2  Fr= 1--      0.1823                 1.3941                 0.7484
 AlphaG Fr= 1--      0.0111                 0.0000                 0.0068
 Gamma2 Fr= 1--     -0.4581                12.1385               -11.6763
 Delta2 Fr= 1--     -0.1134                 9.9876               -11.3737
 Raman1 Fr= 1--       5.365                 39.036                 21.024
 ROA1   Fr= 1--     -47.609               1484.894              -1484.881
 CID1   Fr= 1--      -8.875                 38.039                -70.629
 Raman2 Fr= 1--       2.188                 16.730                  8.980
 ROA2   Fr= 1--     -10.088                211.422               -189.241
 CID2   Fr= 1--      -4.611                 12.638                -21.073
 Raman3 Fr= 1--       4.375                 33.459                 17.960
 ROA3   Fr= 1--     -47.609               1484.894              -1484.881
 CID3   Fr= 1--     -10.882                 44.379                -82.675
 RC180  Fr= 1--       0.631                  0.714                  0.709
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     2   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.01  -0.01     0.01  -0.01   0.01    -0.01   0.01  -0.01
     6   6     0.00  -0.01   0.01    -0.00   0.00  -0.00     0.00  -0.00   0.00
     7   6     0.01   0.00  -0.01     0.00   0.01  -0.00    -0.00  -0.01   0.00
     8   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    11   6    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    12   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    13   9    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    14   6     0.01   0.00  -0.02     0.02  -0.00   0.03    -0.02   0.00  -0.03
    15   6     0.00   0.00  -0.02    -0.00  -0.00  -0.01     0.00   0.00   0.01
    16   6     0.02   0.00   0.01     0.01   0.01   0.00    -0.01  -0.01  -0.00
    17   8     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    18   6    -0.01   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00  -0.01  -0.01     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    20   6    -0.01  -0.00  -0.01     0.00   0.01   0.00     0.00   0.01   0.00
    21   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   6    -0.00   0.02   0.01    -0.00   0.00   0.00    -0.00   0.00   0.00
    25   6    -0.02  -0.00   0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    26   6    -0.00  -0.01  -0.02    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    27   6    -0.01  -0.00  -0.02     0.02  -0.00  -0.03     0.02  -0.00  -0.03
    28   6     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    29   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    30   9     0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    33   9     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    36   1     0.08  -0.06  -0.09     0.01  -0.00  -0.02     0.01  -0.00  -0.02
    37   1    -0.08  -0.12  -0.04     0.00  -0.02   0.01     0.00  -0.02   0.01
    38   1     0.00   0.00  -0.00    -0.00  -0.01   0.02    -0.00  -0.01   0.02
    39   1    -0.01   0.00   0.00     0.02  -0.00   0.01     0.03  -0.00   0.01
    40   1     0.01  -0.00   0.01    -0.00  -0.00   0.01    -0.00  -0.00   0.01
    41   1     0.00  -0.06   0.18     0.05  -0.09  -0.12     0.05  -0.09  -0.11
    42   1     0.28  -0.08  -0.09    -0.10   0.07   0.08    -0.10   0.07   0.08
    43   1     0.06   0.17  -0.17    -0.13  -0.15   0.07    -0.12  -0.15   0.07
    44   1     0.16   0.04  -0.09    -0.02   0.00   0.01    -0.02  -0.00   0.01
    45   1     0.02  -0.12   0.25     0.01   0.04  -0.05     0.01   0.04  -0.06
    46   1    -0.11   0.16   0.19     0.04  -0.03  -0.04     0.04  -0.04  -0.04
    47   1     0.24   0.16   0.15     0.06   0.21  -0.12     0.06   0.21  -0.12
    48   1    -0.11   0.16   0.19    -0.01   0.06   0.43    -0.02   0.06   0.42
    49   1     0.08  -0.21  -0.03    -0.31  -0.20   0.13    -0.30  -0.20   0.12
    50   1    -0.21   0.06  -0.06    -0.10   0.07  -0.08     0.10  -0.07   0.08
    51   1    -0.00   0.04   0.13     0.05  -0.09   0.11    -0.05   0.09  -0.12
    52   1    -0.05  -0.13  -0.12    -0.12  -0.15  -0.06     0.13   0.15   0.07
    53   1     0.09  -0.12   0.14     0.04  -0.03   0.03    -0.04   0.04  -0.04
    54   1    -0.02   0.09   0.19     0.01   0.04   0.05    -0.01  -0.04  -0.06
    55   1    -0.12  -0.03  -0.07    -0.02   0.00  -0.01     0.02   0.00   0.01
    56   1    -0.00  -0.00   0.00    -0.00  -0.01  -0.02     0.00   0.01   0.02
    57   1     0.00  -0.00   0.00     0.02  -0.00  -0.01    -0.03   0.00   0.01
    58   1     0.06   0.09  -0.03     0.00  -0.02  -0.01    -0.00   0.02   0.01
    59   1    -0.06   0.04  -0.07     0.01  -0.00   0.02    -0.01   0.00  -0.02
    60   1    -0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00   0.00   0.01
    61   1     0.08  -0.12   0.14    -0.01   0.06  -0.42     0.01  -0.06   0.43
    62   1    -0.17  -0.12   0.11     0.06   0.21   0.12    -0.06  -0.21  -0.12
    63   1    -0.05   0.15  -0.02    -0.31  -0.20  -0.12     0.31   0.20   0.13
                    142                    143                    144
                      A                      A                      A
 Frequencies --   1499.6388              1499.7784              1503.0989
 Red. masses --      1.0592                 1.0650                 1.0598
 Frc consts  --      1.4034                 1.4114                 1.4107
 IR Inten    --      0.1653                 4.9739                 0.1373
 RamAct Fr= 1--      0.5064                 1.3465                 4.5300
  Dep-P Fr= 1--      0.7477                 0.7499                 0.7408
  Dep-U Fr= 1--      0.8557                 0.8571                 0.8511
 Alpha2 Fr= 1--      0.0000                 0.0000                 0.0007
 Beta2  Fr= 1--      0.0722                 0.1923                 0.6426
 AlphaG Fr= 1--      0.0026                -0.0000                 0.0008
 Gamma2 Fr= 1--     -0.0583                 2.7740                 2.0897
 Delta2 Fr= 1--     -0.1426                -0.1614                -0.2226
 Raman1 Fr= 1--       2.026                  5.386                 18.120
 ROA1   Fr= 1--     -10.157                261.144                193.490
 CID1   Fr= 1--      -5.014                 48.487                 10.678
 Raman2 Fr= 1--       0.867                  2.308                  7.711
 ROA2   Fr= 1--      -0.258                 67.868                 51.934
 CID2   Fr= 1--      -0.298                 29.405                  6.735
 Raman3 Fr= 1--       1.733                  4.616                 15.422
 ROA3   Fr= 1--     -10.157                261.144                193.490
 CID3   Fr= 1--      -5.860                 56.572                 12.547
 RC180  Fr= 1--       0.711                  0.714                  0.702
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01   0.01   0.02    -0.01   0.01   0.02    -0.01   0.01   0.01
     2   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
     3   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00  -0.00     0.00   0.01  -0.00    -0.00  -0.01  -0.00
     5   6    -0.01  -0.00  -0.00    -0.01  -0.00  -0.00     0.01   0.01  -0.01
     6   6    -0.00   0.02  -0.01    -0.00   0.02  -0.01    -0.00   0.01  -0.01
     7   6     0.00   0.01  -0.01     0.00   0.01  -0.01    -0.01   0.01   0.01
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    10   8     0.00  -0.00   0.00     0.01  -0.00  -0.00    -0.01   0.00  -0.00
    11   6    -0.01   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00   0.00
    12   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    14   6    -0.02  -0.00   0.00    -0.02  -0.00   0.00     0.02   0.00  -0.01
    15   6     0.00   0.00  -0.02     0.00   0.00  -0.02    -0.00   0.00   0.01
    16   6     0.00   0.01   0.01     0.00   0.02   0.01    -0.01   0.02  -0.00
    17   8     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    18   6    -0.00  -0.00  -0.00     0.00   0.01   0.00     0.01   0.01  -0.00
    19   6     0.01   0.00  -0.00    -0.01  -0.00   0.00    -0.02  -0.01  -0.01
    20   6    -0.00  -0.01  -0.01     0.00   0.01   0.01     0.01  -0.01   0.01
    21   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.01  -0.01   0.02    -0.01   0.01  -0.02     0.01  -0.01   0.01
    24   6     0.00  -0.02  -0.01    -0.00   0.02   0.01     0.00  -0.01  -0.01
    25   6    -0.00  -0.01   0.01     0.00   0.02  -0.01     0.01  -0.02  -0.00
    26   6    -0.00  -0.00  -0.02     0.00   0.00   0.02     0.00  -0.00   0.01
    27   6     0.02   0.00   0.00    -0.02  -0.00  -0.00    -0.02  -0.00  -0.01
    28   6     0.01  -0.00   0.00    -0.01   0.00  -0.00    -0.01   0.00   0.00
    29   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    31   8    -0.00   0.00   0.00     0.01  -0.00   0.00     0.01  -0.00  -0.00
    32   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   9     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    35   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    36   1    -0.11   0.08   0.13     0.12  -0.09  -0.13    -0.08   0.06   0.13
    37   1     0.10   0.15   0.06    -0.11  -0.16  -0.06     0.08   0.14   0.04
    38   1     0.02   0.10  -0.16    -0.02  -0.11   0.16     0.01   0.08  -0.12
    39   1    -0.18   0.02  -0.06     0.19  -0.02   0.07    -0.13   0.02  -0.05
    40   1     0.01   0.00  -0.01    -0.01  -0.01   0.01    -0.01  -0.00  -0.01
    41   1    -0.08   0.18   0.03     0.08  -0.19  -0.03    -0.10   0.26  -0.06
    42   1    -0.04  -0.08  -0.09     0.04   0.08   0.10    -0.24  -0.03  -0.03
    43   1     0.14   0.13  -0.02    -0.15  -0.14   0.01     0.14   0.05   0.12
    44   1     0.12   0.02  -0.06    -0.12  -0.02   0.07    -0.07   0.02   0.02
    45   1     0.01  -0.09   0.17    -0.01   0.09  -0.17    -0.02   0.04  -0.11
    46   1    -0.07   0.11   0.13     0.07  -0.11  -0.13     0.07  -0.04  -0.05
    47   1    -0.16  -0.01  -0.19     0.15   0.01   0.19     0.24   0.11   0.21
    48   1     0.09  -0.10   0.09    -0.09   0.10  -0.09    -0.13   0.17   0.07
    49   1    -0.24   0.05   0.10     0.24  -0.04  -0.10     0.19  -0.16  -0.08
    50   1     0.04   0.08  -0.09     0.04   0.08  -0.09     0.22   0.02  -0.03
    51   1     0.08  -0.18   0.03     0.08  -0.18   0.03     0.10  -0.24  -0.06
    52   1    -0.14  -0.13  -0.02    -0.14  -0.13  -0.01    -0.13  -0.04   0.11
    53   1     0.07  -0.11   0.13     0.07  -0.11   0.13    -0.07   0.04  -0.04
    54   1    -0.01   0.09   0.18    -0.01   0.09   0.17     0.02  -0.03  -0.10
    55   1    -0.12  -0.02  -0.07    -0.12  -0.02  -0.06     0.06  -0.02   0.02
    56   1    -0.02  -0.11  -0.16    -0.02  -0.11  -0.16    -0.01  -0.08  -0.11
    57   1     0.18  -0.02  -0.06     0.18  -0.02  -0.06     0.13  -0.02  -0.04
    58   1    -0.11  -0.16   0.06    -0.11  -0.16   0.06    -0.07  -0.13   0.03
    59   1     0.12  -0.09   0.13     0.12  -0.09   0.13     0.08  -0.06   0.12
    60   1    -0.01  -0.00  -0.01    -0.01  -0.01  -0.01     0.01  -0.00  -0.01
    61   1    -0.09   0.10   0.09    -0.09   0.10   0.09     0.12  -0.16   0.06
    62   1     0.16   0.01  -0.19     0.15   0.01  -0.18    -0.23  -0.10   0.19
    63   1     0.24  -0.05   0.10     0.23  -0.04   0.10    -0.18   0.15  -0.07
                    145                    146                    147
                      A                      A                      A
 Frequencies --   1503.1834              1510.4488              1510.5032
 Red. masses --      1.0684                 1.0758                 1.0745
 Frc consts  --      1.4223                 1.4461                 1.4445
 IR Inten    --     15.6151                 0.6040                 0.2866
 RamAct Fr= 1--      2.9646                 5.9004                 6.6006
  Dep-P Fr= 1--      0.7497                 0.7307                 0.3528
  Dep-U Fr= 1--      0.8569                 0.8444                 0.5215
 Alpha2 Fr= 1--      0.0000                 0.0020                 0.0574
 Beta2  Fr= 1--      0.4234                 0.8304                 0.5737
 AlphaG Fr= 1--      0.0000                -0.0018                -0.0554
 Gamma2 Fr= 1--     -1.3223                 7.2679                -4.0384
 Delta2 Fr= 1--     -0.1231                 4.2915                -3.5807
 Raman1 Fr= 1--      11.858                 23.601                 26.403
 ROA1   Fr= 1--    -130.880                835.050               -502.269
 CID1   Fr= 1--     -11.037                 35.381                -19.023
 Raman2 Fr= 1--       5.081                  9.964                  6.885
 ROA2   Fr= 1--     -30.750                140.099                -68.275
 CID2   Fr= 1--      -6.052                 14.060                 -9.917
 Raman3 Fr= 1--      10.162                 19.929                 13.770
 ROA3   Fr= 1--    -130.880                835.050               -502.269
 CID3   Fr= 1--     -12.880                 41.902                -36.476
 RC180  Fr= 1--       0.714                  0.689                  0.043
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01  -0.01  -0.01    -0.01   0.00   0.01     0.01  -0.00  -0.01
     2   6     0.00   0.01  -0.00     0.00   0.01   0.01    -0.00  -0.00  -0.00
     3   6     0.00  -0.01  -0.00     0.00  -0.01  -0.00    -0.00   0.01   0.00
     4   6     0.01   0.01   0.00     0.00   0.01   0.00    -0.00  -0.01  -0.00
     5   6    -0.02  -0.01   0.01     0.01  -0.01   0.01    -0.01   0.01  -0.00
     6   6     0.00  -0.01   0.01    -0.00  -0.01   0.01     0.00   0.01  -0.01
     7   6     0.01  -0.01  -0.01    -0.02  -0.00  -0.03     0.02   0.00   0.02
     8   8    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     9  29    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    10   8     0.01  -0.00  -0.00     0.01  -0.00  -0.00    -0.00   0.00   0.00
    11   6    -0.02   0.00   0.00    -0.01   0.00   0.00     0.01  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
    14   6    -0.02  -0.00   0.01     0.01  -0.00   0.00    -0.00   0.00  -0.00
    15   6     0.00  -0.00  -0.01     0.01   0.01  -0.02    -0.01  -0.01   0.01
    16   6     0.01  -0.02   0.00    -0.02  -0.01  -0.00     0.02   0.01   0.00
    17   8    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    18   6     0.01   0.01  -0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
    19   6    -0.01  -0.01  -0.01     0.01  -0.01  -0.00     0.01  -0.01  -0.01
    20   6     0.01  -0.01   0.01    -0.02  -0.00   0.02    -0.02  -0.00   0.03
    21   6     0.00   0.00   0.00     0.00   0.01  -0.00     0.00   0.01  -0.01
    22   6     0.00  -0.01   0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.01  -0.01   0.01    -0.01   0.00  -0.01    -0.01   0.00  -0.01
    24   6     0.00  -0.01  -0.01    -0.00  -0.01  -0.01    -0.00  -0.01  -0.01
    25   6     0.01  -0.02  -0.00    -0.02  -0.01   0.00    -0.02  -0.01   0.00
    26   6     0.00  -0.00   0.01     0.01   0.01   0.01     0.01   0.01   0.02
    27   6    -0.02  -0.00  -0.01     0.00  -0.00  -0.00     0.01  -0.00  -0.00
    28   6    -0.01   0.00  -0.00    -0.01   0.00  -0.00    -0.01   0.00  -0.00
    29   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    30   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    31   8     0.01  -0.00   0.00     0.00  -0.00   0.00     0.01  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    36   1    -0.07   0.05   0.12    -0.06   0.04   0.08    -0.08   0.05   0.11
    37   1     0.07   0.12   0.03     0.06   0.08   0.04     0.09   0.12   0.05
    38   1     0.01   0.07  -0.11    -0.01  -0.05   0.08    -0.02  -0.07   0.12
    39   1    -0.13   0.02  -0.04     0.09  -0.00   0.04     0.13  -0.00   0.05
    40   1    -0.01  -0.00  -0.01    -0.02  -0.01   0.02    -0.03  -0.02   0.02
    41   1    -0.09   0.24  -0.06    -0.03   0.02   0.17    -0.04   0.03   0.25
    42   1    -0.22  -0.02  -0.03     0.20  -0.09  -0.11     0.29  -0.13  -0.15
    43   1     0.13   0.04   0.11     0.10   0.17  -0.14     0.15   0.25  -0.21
    44   1    -0.07   0.02   0.02    -0.10  -0.08   0.08    -0.15  -0.12   0.12
    45   1    -0.02   0.04  -0.11     0.03   0.11  -0.15     0.04   0.16  -0.22
    46   1     0.07  -0.04  -0.04     0.07  -0.13  -0.16     0.10  -0.19  -0.24
    47   1     0.23   0.10   0.20    -0.01   0.05  -0.05    -0.01   0.07  -0.08
    48   1    -0.12   0.16   0.06    -0.00   0.01   0.07    -0.01   0.02   0.10
    49   1     0.18  -0.15  -0.07    -0.08  -0.01   0.03    -0.11  -0.01   0.04
    50   1    -0.24  -0.02   0.03     0.29  -0.13   0.15    -0.20   0.09  -0.11
    51   1    -0.10   0.26   0.07    -0.04   0.03  -0.25     0.03  -0.02   0.18
    52   1     0.14   0.04  -0.12     0.15   0.25   0.21    -0.10  -0.18  -0.14
    53   1     0.08  -0.05   0.05     0.10  -0.19   0.24    -0.07   0.13  -0.16
    54   1    -0.02   0.04   0.11     0.04   0.16   0.22    -0.02  -0.11  -0.15
    55   1    -0.07   0.02  -0.02    -0.15  -0.12  -0.12     0.10   0.08   0.08
    56   1     0.01   0.08   0.12    -0.02  -0.07  -0.11     0.01   0.05   0.08
    57   1    -0.13   0.02   0.05     0.13  -0.00  -0.05    -0.09   0.00   0.04
    58   1     0.07   0.13  -0.03     0.09   0.12  -0.05    -0.06  -0.08   0.04
    59   1    -0.08   0.06  -0.13    -0.08   0.06  -0.12     0.05  -0.04   0.08
    60   1    -0.01  -0.00   0.01    -0.03  -0.02  -0.02     0.02   0.01   0.02
    61   1    -0.13   0.17  -0.07    -0.01   0.02  -0.10     0.00  -0.01   0.07
    62   1     0.24   0.11  -0.21    -0.01   0.07   0.08     0.01  -0.05  -0.05
    63   1     0.19  -0.16   0.08    -0.11  -0.01  -0.05     0.08   0.00   0.03
                    148                    149                    150
                      A                      A                      A
 Frequencies --   1519.0853              1519.1198              1524.7315
 Red. masses --      1.0886                 1.0842                 1.0869
 Frc consts  --      1.4801                 1.4742                 1.4888
 IR Inten    --      0.7083                 5.4508                 9.4928
 RamAct Fr= 1--      7.5560                 2.9616                 9.6884
  Dep-P Fr= 1--      0.7479                 0.6038                 0.7499
  Dep-U Fr= 1--      0.8558                 0.7530                 0.8571
 Alpha2 Fr= 1--      0.0003                 0.0080                 0.0000
 Beta2  Fr= 1--      1.0777                 0.3717                 1.3839
 AlphaG Fr= 1--      0.0017                 0.0533                 0.0001
 Gamma2 Fr= 1--     -7.5820                 0.7608                -0.7882
 Delta2 Fr= 1--     -2.8128                -0.1836                 1.3470
 Raman1 Fr= 1--      30.224                 11.846                 38.754
 ROA1   Fr= 1--    -817.881                 67.157                -32.563
 CID1   Fr= 1--     -27.061                  5.669                 -0.840
 Raman2 Fr= 1--      12.933                  4.460                 16.607
 ROA2   Fr= 1--    -159.466                 19.727                -29.692
 CID2   Fr= 1--     -12.330                  4.423                 -1.788
 Raman3 Fr= 1--      25.866                  8.920                 33.214
 ROA3   Fr= 1--    -817.881                 67.157                -32.563
 CID3   Fr= 1--     -31.621                  7.529                 -0.980
 RC180  Fr= 1--       0.712                  0.506                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.03   0.02   0.04
     2   6    -0.00  -0.00   0.00    -0.01  -0.00   0.00    -0.00   0.01   0.00
     3   6     0.00   0.02   0.00     0.00   0.02   0.00     0.00  -0.01  -0.00
     4   6     0.00  -0.01  -0.00     0.00  -0.02  -0.00     0.00   0.01   0.00
     5   6     0.00   0.01   0.00     0.00   0.02   0.00    -0.00  -0.00  -0.00
     6   6    -0.00   0.02  -0.02    -0.00   0.03  -0.02    -0.00  -0.02   0.02
     7   6     0.00  -0.02  -0.01     0.00  -0.03  -0.01     0.01  -0.01   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.01   0.00   0.00    -0.01   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.01  -0.01  -0.00     0.01  -0.01  -0.00    -0.01   0.01   0.00
    12   6    -0.00   0.00   0.00    -0.00   0.01   0.00     0.00  -0.00   0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    14   6     0.01  -0.00  -0.00     0.01   0.00  -0.00    -0.00   0.00   0.00
    15   6     0.01  -0.01  -0.01     0.02  -0.02  -0.01    -0.01  -0.02   0.01
    16   6    -0.00  -0.01  -0.00    -0.00  -0.02  -0.00     0.01  -0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00   0.00
    18   6     0.00  -0.02   0.00     0.00   0.01  -0.00     0.00   0.01  -0.00
    19   6     0.00   0.02  -0.00    -0.00  -0.01   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.03   0.01    -0.00   0.02  -0.01     0.01  -0.01  -0.00
    21   6    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.01  -0.00
    22   6     0.00   0.02  -0.00    -0.00  -0.01   0.00     0.00  -0.01   0.00
    23   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.02   0.02  -0.03
    24   6    -0.00   0.03   0.02     0.00  -0.02  -0.02    -0.00  -0.02  -0.02
    25   6    -0.00  -0.02   0.00     0.00   0.01  -0.00     0.01  -0.00   0.00
    26   6     0.02  -0.02   0.01    -0.01   0.01  -0.01    -0.01  -0.02  -0.01
    27   6     0.01   0.00   0.00    -0.01  -0.00  -0.00    -0.00   0.00  -0.00
    28   6     0.01  -0.01   0.00    -0.01   0.01  -0.00    -0.01   0.01  -0.00
    29   6    -0.00   0.01  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    31   8    -0.01   0.00  -0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    32   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.18  -0.12  -0.25    -0.12   0.08   0.17    -0.09   0.06   0.12
    37   1    -0.17  -0.26  -0.09     0.12   0.18   0.06     0.09   0.14   0.05
    38   1     0.00   0.01   0.00    -0.00  -0.01   0.00    -0.04  -0.20   0.31
    39   1    -0.01  -0.00  -0.00     0.01   0.00   0.00     0.34  -0.03   0.13
    40   1     0.03   0.02  -0.00    -0.02  -0.01   0.00    -0.02   0.00  -0.01
    41   1    -0.10   0.22   0.04     0.07  -0.15  -0.03    -0.03   0.08  -0.05
    42   1    -0.08  -0.08  -0.10     0.05   0.05   0.07    -0.09  -0.01  -0.01
    43   1     0.18   0.14   0.02    -0.12  -0.09  -0.02     0.03  -0.00   0.04
    44   1    -0.22   0.31  -0.02     0.15  -0.21   0.01     0.04   0.20  -0.10
    45   1    -0.19  -0.05  -0.26     0.13   0.03   0.18    -0.06  -0.07   0.03
    46   1     0.18   0.07   0.11    -0.12  -0.05  -0.07     0.05   0.14   0.18
    47   1    -0.06  -0.01  -0.07     0.04   0.01   0.05     0.01   0.00   0.01
    48   1     0.04  -0.05   0.04    -0.03   0.03  -0.03    -0.00   0.01   0.00
    49   1    -0.09   0.01   0.04     0.06  -0.01  -0.03     0.01  -0.00  -0.00
    50   1    -0.05  -0.05   0.07    -0.08  -0.08   0.10    -0.10  -0.01   0.01
    51   1    -0.07   0.15  -0.03    -0.10   0.22  -0.04    -0.03   0.08   0.05
    52   1     0.12   0.10  -0.01     0.18   0.14  -0.02     0.03  -0.00  -0.04
    53   1     0.12   0.05  -0.07     0.18   0.07  -0.11     0.06   0.15  -0.19
    54   1    -0.13  -0.03   0.18    -0.19  -0.05   0.26    -0.06  -0.08  -0.03
    55   1    -0.15   0.21   0.01    -0.21   0.31   0.02     0.05   0.21   0.10
    56   1     0.00   0.01  -0.00     0.00   0.01   0.00    -0.04  -0.21  -0.33
    57   1    -0.01  -0.00   0.00    -0.01  -0.00   0.00     0.36  -0.03  -0.14
    58   1    -0.12  -0.18   0.06    -0.17  -0.27   0.09     0.10   0.15  -0.05
    59   1     0.12  -0.08   0.17     0.18  -0.12   0.25    -0.10   0.07  -0.13
    60   1     0.02   0.01   0.00     0.03   0.02   0.00    -0.02   0.00   0.01
    61   1     0.03  -0.03  -0.03     0.04  -0.05  -0.04    -0.00   0.01  -0.00
    62   1    -0.04  -0.01   0.05    -0.06  -0.01   0.07     0.01   0.00  -0.01
    63   1    -0.06   0.01  -0.03    -0.09   0.01  -0.04     0.01  -0.00   0.00
                    151                    152                    153
                      A                      A                      A
 Frequencies --   1524.7616              1547.7039              1559.6371
 Red. masses --      1.0857                 8.8775                 9.1090
 Frc consts  --      1.4872                12.5289                13.0547
 IR Inten    --     11.5930                10.6229               466.0002
 RamAct Fr= 1--      1.6731               218.1856                 3.5485
  Dep-P Fr= 1--      0.3631                 0.2758                 0.7497
  Dep-U Fr= 1--      0.5328                 0.4323                 0.8570
 Alpha2 Fr= 1--      0.0141                 2.4032                 0.0000
 Beta2  Fr= 1--      0.1486                15.7204                 0.5068
 AlphaG Fr= 1--      0.0626                -2.7679                -0.0000
 Gamma2 Fr= 1--      1.8681                30.4041               -52.3491
 Delta2 Fr= 1--      1.5102                47.0926               -39.6949
 Raman1 Fr= 1--       6.693                872.742                 14.194
 ROA1   Fr= 1--     227.666               4425.759              -6295.754
 CID1   Fr= 1--      34.018                  5.071               -443.551
 Raman2 Fr= 1--       1.783                188.644                  6.082
 ROA2   Fr= 1--      32.753                352.959               -938.821
 CID2   Fr= 1--      18.371                  1.871               -154.363
 Raman3 Fr= 1--       3.566                377.289                 12.164
 ROA3   Fr= 1--     227.666               4425.759              -6295.754
 CID3   Fr= 1--      63.849                 11.730               -517.581
 RC180  Fr= 1--       0.066                 -0.135                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.02  -0.02  -0.03     0.00   0.00  -0.01    -0.00  -0.00   0.01
     2   6     0.00  -0.01  -0.00     0.06   0.05   0.01    -0.06  -0.04  -0.00
     3   6    -0.00   0.01   0.00    -0.14  -0.36  -0.05     0.14   0.35   0.05
     4   6    -0.00  -0.01  -0.00    -0.21   0.18   0.02     0.25  -0.18  -0.02
     5   6     0.00   0.00   0.00     0.02  -0.01  -0.01    -0.02   0.00   0.01
     6   6     0.00   0.02  -0.02     0.00   0.02  -0.01    -0.00  -0.01   0.01
     7   6    -0.01   0.01  -0.00     0.04   0.02   0.00    -0.04  -0.02  -0.00
     8   8     0.00   0.00   0.00     0.10  -0.05  -0.00    -0.13   0.06   0.00
     9  29    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.01  -0.00
    10   8    -0.00   0.00   0.00     0.04  -0.03  -0.00     0.00   0.03   0.00
    11   6     0.01  -0.01  -0.00     0.07   0.28   0.04    -0.13  -0.27  -0.04
    12   6    -0.00   0.00  -0.00     0.02  -0.10  -0.01    -0.02   0.09   0.01
    13   9     0.00  -0.00   0.00    -0.01   0.01  -0.01     0.01  -0.01   0.01
    14   6     0.00  -0.00  -0.00    -0.00   0.01   0.00     0.00  -0.01  -0.00
    15   6     0.01   0.02  -0.01    -0.01  -0.01  -0.00     0.01   0.01   0.00
    16   6    -0.01   0.00   0.00     0.00  -0.01   0.00    -0.00   0.01  -0.00
    17   8    -0.00  -0.00   0.00    -0.10   0.05  -0.00    -0.13   0.05  -0.00
    18   6     0.00   0.01  -0.00     0.21  -0.18   0.02     0.25  -0.18   0.02
    19   6    -0.00  -0.00   0.00    -0.02   0.01  -0.01    -0.02   0.00  -0.01
    20   6     0.01  -0.01  -0.00    -0.04  -0.02   0.00    -0.04  -0.02   0.00
    21   6    -0.00   0.01  -0.00    -0.06  -0.05   0.01    -0.06  -0.04   0.00
    22   6     0.00  -0.01   0.00     0.14   0.36  -0.05     0.14   0.35  -0.05
    23   6    -0.03   0.02  -0.04    -0.00  -0.00  -0.01    -0.00  -0.00  -0.01
    24   6    -0.00  -0.02  -0.02    -0.00  -0.02  -0.01    -0.00  -0.01  -0.01
    25   6     0.01  -0.00   0.00    -0.00   0.01   0.00    -0.00   0.01   0.00
    26   6    -0.01  -0.02  -0.01     0.01   0.01  -0.00     0.01   0.01  -0.00
    27   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.01   0.00
    28   6    -0.01   0.01  -0.00    -0.07  -0.28   0.04    -0.13  -0.27   0.04
    29   6     0.00  -0.00  -0.00    -0.02   0.10  -0.01    -0.02   0.09  -0.01
    30   9    -0.00   0.00   0.00     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    31   8     0.00  -0.00   0.00    -0.04   0.03  -0.00     0.00   0.03  -0.00
    32   9    -0.00   0.00  -0.00     0.01  -0.01   0.01     0.01  -0.01   0.01
    33   9     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.00  -0.01   0.00
    34   9    -0.00  -0.00  -0.00     0.01   0.01   0.00    -0.00  -0.01  -0.00
    35   9     0.00  -0.00  -0.00    -0.01   0.01   0.01     0.01  -0.01  -0.01
    36   1    -0.10   0.07   0.13    -0.10   0.07   0.07    -0.09   0.06   0.08
    37   1     0.10   0.15   0.05     0.08   0.11   0.06     0.08   0.10   0.06
    38   1    -0.04  -0.21   0.33    -0.01   0.01   0.06    -0.01   0.01   0.06
    39   1     0.36  -0.03   0.14     0.04  -0.02   0.01     0.03  -0.01   0.01
    40   1    -0.02   0.00  -0.01     0.20   0.13   0.01     0.17   0.11   0.01
    41   1    -0.03   0.08  -0.05     0.04  -0.08   0.07     0.04  -0.08   0.06
    42   1    -0.10  -0.01  -0.01     0.07   0.00   0.00     0.06   0.00   0.00
    43   1     0.03  -0.00   0.04    -0.04  -0.02  -0.03    -0.05  -0.02  -0.03
    44   1     0.05   0.21  -0.10     0.03  -0.02   0.00     0.02  -0.02   0.00
    45   1    -0.06  -0.08   0.03     0.00  -0.02   0.04     0.01  -0.01   0.03
    46   1     0.05   0.15   0.19    -0.02   0.01   0.00    -0.02   0.00  -0.01
    47   1     0.01   0.00   0.01     0.06   0.03   0.04     0.08   0.04   0.05
    48   1    -0.00   0.01   0.00    -0.05   0.07  -0.03    -0.06   0.09  -0.03
    49   1     0.01  -0.00  -0.00     0.07  -0.00  -0.02     0.08  -0.01  -0.03
    50   1     0.09   0.01  -0.01    -0.07  -0.00   0.00     0.06   0.00  -0.00
    51   1     0.03  -0.08  -0.05    -0.04   0.08   0.07     0.04  -0.08  -0.06
    52   1    -0.03   0.00   0.04     0.04   0.02  -0.03    -0.05  -0.02   0.03
    53   1    -0.05  -0.14   0.18     0.02  -0.01   0.00    -0.02   0.00   0.01
    54   1     0.06   0.08   0.03    -0.00   0.02   0.04     0.01  -0.01  -0.03
    55   1    -0.04  -0.20  -0.10    -0.03   0.02   0.00     0.02  -0.02  -0.00
    56   1     0.04   0.20   0.31     0.01  -0.01   0.06    -0.01   0.01  -0.06
    57   1    -0.34   0.03   0.13    -0.04   0.02   0.01     0.03  -0.01  -0.01
    58   1    -0.09  -0.14   0.05    -0.08  -0.10   0.06     0.08   0.10  -0.06
    59   1     0.09  -0.07   0.12     0.10  -0.07   0.07    -0.09   0.06  -0.08
    60   1     0.02  -0.00  -0.01    -0.20  -0.13   0.01     0.17   0.11  -0.01
    61   1     0.00  -0.01   0.00     0.05  -0.07  -0.03    -0.06   0.09   0.03
    62   1    -0.01  -0.00   0.01    -0.06  -0.03   0.04     0.08   0.04  -0.05
    63   1    -0.01   0.00  -0.00    -0.07   0.00  -0.02     0.08  -0.01   0.03
                    154                    155                    156
                      A                      A                      A
 Frequencies --   1667.5869              1681.9102              3035.8874
 Red. masses --     11.9413                12.0763                 1.0378
 Frc consts  --     19.5650                20.1275                 5.6357
 IR Inten    --   1288.7588                 0.1615                14.1042
 RamAct Fr= 1--      0.4125                75.1199                 3.6092
  Dep-P Fr= 1--      0.7500                 0.1704                 0.3811
  Dep-U Fr= 1--      0.8571                 0.2912                 0.5518
 Alpha2 Fr= 1--      0.0000                 1.1021                 0.0286
 Beta2  Fr= 1--      0.0589                 3.6464                 0.3320
 AlphaG Fr= 1--      0.0000                 2.2767                -0.0406
 Gamma2 Fr= 1--     -1.3728                11.4958                -4.7834
 Delta2 Fr= 1--     -3.4969                -0.5000                -1.3571
 Raman1 Fr= 1--       1.650                300.480                 14.437
 ROA1   Fr= 1--    -243.685               1087.596               -502.629
 CID1   Fr= 1--    -147.704                  3.620                -34.816
 Raman2 Fr= 1--       0.707                 43.757                  3.983
 ROA2   Fr= 1--      -4.971                279.899               -103.944
 CID2   Fr= 1--      -7.031                  6.397                -26.094
 Raman3 Fr= 1--       1.414                 87.514                  7.967
 ROA3   Fr= 1--    -243.685               1087.596               -502.629
 CID3   Fr= 1--    -172.321                 12.428                -63.089
 RC180  Fr= 1--       0.714                 -0.418                  0.104
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.01   0.00  -0.01    -0.01  -0.00   0.01    -0.00   0.00   0.00
     2   6     0.02   0.02   0.00    -0.02  -0.02  -0.00     0.00  -0.00   0.00
     3   6    -0.23  -0.13  -0.02     0.22   0.13   0.02     0.00   0.00   0.00
     4   6     0.41  -0.14  -0.00    -0.40   0.14   0.00     0.00  -0.00   0.00
     5   6    -0.03   0.02  -0.00     0.03  -0.02  -0.00     0.00  -0.00  -0.00
     6   6    -0.01  -0.00   0.01     0.01   0.00  -0.01    -0.00  -0.00   0.00
     7   6    -0.01   0.00  -0.00     0.01  -0.00   0.00    -0.00  -0.00   0.00
     8   8    -0.23   0.06   0.00     0.23  -0.06  -0.00    -0.00   0.00   0.00
     9  29    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    10   8    -0.13  -0.01  -0.00     0.15   0.00   0.00     0.00  -0.00  -0.00
    11   6     0.33   0.18   0.03    -0.34  -0.18  -0.03    -0.00  -0.00   0.00
    12   6    -0.02  -0.02  -0.00     0.01   0.03   0.00     0.00   0.00  -0.00
    13   9     0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.01  -0.01  -0.00    -0.01   0.01   0.00    -0.00   0.00   0.00
    15   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.01   0.00   0.01
    16   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.02
    17   8    -0.23   0.06  -0.00    -0.23   0.06  -0.00    -0.00   0.00  -0.00
    18   6     0.41  -0.14   0.00     0.40  -0.14   0.00     0.00  -0.00  -0.00
    19   6    -0.03   0.02   0.00    -0.03   0.02  -0.00     0.00  -0.00   0.00
    20   6    -0.01   0.00   0.00    -0.01   0.00   0.00    -0.00  -0.00  -0.00
    21   6     0.02   0.02  -0.00     0.02   0.02  -0.00     0.00  -0.00  -0.00
    22   6    -0.23  -0.13   0.02    -0.22  -0.13   0.02     0.00   0.00  -0.00
    23   6     0.01   0.00   0.01     0.01   0.00   0.01    -0.00   0.00  -0.00
    24   6    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01    -0.00  -0.00  -0.00
    25   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.01   0.04
    26   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.02   0.00  -0.01
    27   6     0.01  -0.01   0.00     0.01  -0.01   0.00    -0.00   0.00  -0.00
    28   6     0.33   0.18  -0.03     0.34   0.18  -0.03    -0.00  -0.00  -0.00
    29   6    -0.02  -0.02   0.00    -0.01  -0.03   0.00     0.00  -0.00   0.00
    30   9     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.13  -0.01   0.00    -0.15  -0.00   0.00     0.00  -0.00   0.00
    32   9    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    33   9    -0.00  -0.01   0.00    -0.00  -0.01   0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.00  -0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.00  -0.01   0.06    -0.01  -0.01   0.05     0.01   0.01   0.00
    37   1     0.03   0.02   0.01     0.03   0.02   0.01    -0.01   0.00   0.01
    38   1     0.00   0.02   0.00     0.01   0.01   0.00     0.01   0.00   0.00
    39   1    -0.02  -0.01  -0.02    -0.01  -0.01  -0.01    -0.00  -0.00   0.00
    40   1    -0.03  -0.01   0.01    -0.03  -0.01   0.00    -0.00   0.00   0.00
    41   1     0.01  -0.03   0.04     0.01  -0.02   0.03    -0.29  -0.12   0.00
    42   1     0.04  -0.00   0.00     0.03  -0.00   0.00     0.01   0.37  -0.26
    43   1    -0.01   0.01  -0.02    -0.01   0.00  -0.02     0.30  -0.33  -0.17
    44   1    -0.00  -0.01   0.00    -0.00  -0.01   0.00    -0.05  -0.05  -0.16
    45   1     0.01   0.01  -0.00     0.01   0.01  -0.00    -0.23   0.26   0.13
    46   1     0.01  -0.00  -0.01     0.01  -0.00  -0.00     0.00  -0.25   0.20
    47   1     0.04   0.01   0.01     0.04   0.01   0.02     0.01  -0.01  -0.01
    48   1    -0.06   0.08  -0.05    -0.05   0.08  -0.04    -0.01  -0.00  -0.00
    49   1     0.04   0.02  -0.01     0.04   0.02  -0.01     0.01   0.00   0.03
    50   1     0.04  -0.00  -0.00    -0.03   0.00   0.00     0.01   0.18   0.13
    51   1     0.01  -0.03  -0.04    -0.01   0.02   0.03    -0.14  -0.06  -0.00
    52   1    -0.01   0.01   0.02     0.01  -0.00  -0.02     0.14  -0.16   0.08
    53   1     0.01  -0.00   0.01    -0.01   0.00  -0.00     0.00  -0.12  -0.10
    54   1     0.01   0.01   0.00    -0.01  -0.01  -0.00    -0.11   0.13  -0.06
    55   1    -0.00  -0.01  -0.00     0.00   0.01   0.00    -0.03  -0.03   0.08
    56   1     0.00   0.02  -0.00    -0.01  -0.01   0.00     0.00   0.00  -0.00
    57   1    -0.02  -0.01   0.02     0.01   0.01  -0.01    -0.00  -0.00  -0.00
    58   1     0.03   0.02  -0.01    -0.03  -0.02   0.01    -0.00   0.00  -0.00
    59   1    -0.00  -0.01  -0.06     0.01   0.01   0.05     0.00   0.00  -0.00
    60   1    -0.03  -0.01  -0.01     0.03   0.01   0.00    -0.00   0.00  -0.00
    61   1    -0.06   0.08   0.05     0.05  -0.08  -0.04    -0.00  -0.00   0.00
    62   1     0.04   0.01  -0.01    -0.04  -0.01   0.02     0.01  -0.00   0.01
    63   1     0.04   0.02   0.01    -0.04  -0.02  -0.01     0.01   0.00  -0.02
                    157                    158                    159
                      A                      A                      A
 Frequencies --   3035.9072              3040.5098              3040.5492
 Red. masses --      1.0378                 1.0372                 1.0373
 Frc consts  --      5.6358                 5.6497                 5.6502
 IR Inten    --     12.0237                16.6833                16.5885
 RamAct Fr= 1--     19.9531                32.7393                35.8409
  Dep-P Fr= 1--      0.2559                 0.3998                 0.3559
  Dep-U Fr= 1--      0.4075                 0.5712                 0.5249
 Alpha2 Fr= 1--      0.2326                 0.2427                 0.3087
 Beta2  Fr= 1--      1.3552                 3.1169                 3.1356
 AlphaG Fr= 1--     -0.3295                -0.1755                -0.2140
 Gamma2 Fr= 1--     -0.0622               -11.8345               -13.3832
 Delta2 Fr= 1--     -0.1580                -9.6455               -10.1249
 Raman1 Fr= 1--      79.813                130.957                143.363
 ROA1   Fr= 1--     -11.029              -1444.764              -1608.788
 CID1   Fr= 1--      -0.138                -11.032                -11.222
 Raman2 Fr= 1--      16.263                 37.403                 37.627
 ROA2   Fr= 1--      -0.229               -206.863               -240.198
 CID2   Fr= 1--      -0.014                 -5.531                 -6.384
 Raman3 Fr= 1--      32.525                 74.807                 75.255
 ROA3   Fr= 1--     -11.029              -1444.764              -1608.788
 CID3   Fr= 1--      -0.339                -19.313                -21.378
 RC180  Fr= 1--      -0.185                  0.142                  0.050
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     2   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00  -0.00  -0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    11   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    12   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    13   9     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00  -0.00   0.00
    14   6    -0.00   0.00   0.00     0.00  -0.03  -0.01     0.00  -0.00  -0.00
    15   6     0.02   0.00   0.01     0.03   0.01   0.02     0.00   0.00   0.00
    16   6    -0.00   0.01  -0.04    -0.00  -0.00   0.02    -0.00  -0.00   0.00
    17   8     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    18   6    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    20   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    24   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    25   6     0.00  -0.00  -0.02     0.00  -0.00  -0.00     0.00   0.00   0.02
    26   6    -0.01  -0.00   0.01     0.00   0.00  -0.00    -0.03  -0.01   0.02
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.03  -0.01
    28   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    30   9    -0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    31   8    -0.00   0.00  -0.00     0.00   0.00   0.00     0.00  -0.00   0.00
    32   9     0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   9     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    35   9    -0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.00
    37   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.01   0.00   0.01
    38   1    -0.01  -0.00  -0.00     0.00   0.00   0.00    -0.02  -0.00  -0.00
    39   1     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.01   0.01  -0.01
    40   1     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.01   0.00
    41   1     0.14   0.06  -0.00     0.00   0.00   0.00    -0.16  -0.07  -0.00
    42   1    -0.01  -0.18   0.13    -0.00  -0.00   0.00     0.01   0.21  -0.15
    43   1    -0.14   0.16   0.08    -0.00   0.00   0.00     0.16  -0.17  -0.09
    44   1     0.03   0.03   0.08    -0.00  -0.00  -0.00     0.07   0.06   0.18
    45   1     0.11  -0.13  -0.06    -0.00   0.01   0.00     0.26  -0.30  -0.15
    46   1    -0.00   0.12  -0.10     0.00  -0.01   0.00    -0.00   0.29  -0.24
    47   1    -0.01   0.00   0.01    -0.00   0.00   0.00     0.25  -0.16  -0.21
    48   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.36  -0.25   0.01
    49   1    -0.01  -0.00  -0.02    -0.00  -0.00  -0.00     0.15   0.04   0.37
    50   1     0.01   0.37   0.26    -0.01  -0.20  -0.14    -0.00  -0.00  -0.00
    51   1    -0.29  -0.12  -0.00     0.16   0.07  -0.00     0.00   0.00   0.00
    52   1     0.30  -0.33   0.17    -0.15   0.17  -0.09    -0.00   0.00  -0.00
    53   1     0.00  -0.25  -0.20     0.00  -0.29  -0.23     0.00  -0.00  -0.00
    54   1    -0.23   0.26  -0.13    -0.25   0.29  -0.15    -0.00   0.00  -0.00
    55   1    -0.05  -0.05   0.16    -0.06  -0.06   0.18    -0.00  -0.00   0.00
    56   1     0.01   0.00  -0.00     0.02   0.00  -0.00     0.00   0.00  -0.00
    57   1    -0.00  -0.00  -0.00    -0.01  -0.01  -0.01    -0.00  -0.00  -0.00
    58   1    -0.01   0.00  -0.01     0.01  -0.00   0.01     0.00  -0.00   0.00
    59   1     0.01   0.01  -0.00    -0.01  -0.01  -0.00    -0.00  -0.00  -0.00
    60   1    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00   0.00
    61   1    -0.01  -0.01   0.00     0.37   0.25   0.01     0.01   0.00   0.00
    62   1     0.01  -0.01   0.01    -0.25   0.16  -0.21    -0.00   0.00  -0.00
    63   1     0.01   0.00  -0.03    -0.15  -0.04   0.37    -0.00  -0.00   0.01
                    160                    161                    162
                      A                      A                      A
 Frequencies --   3043.6614              3043.7706              3062.2768
 Red. masses --      1.0372                 1.0372                 1.0595
 Frc consts  --      5.6611                 5.6615                 5.8538
 IR Inten    --     43.3107                44.5965                16.3434
 RamAct Fr= 1--     57.7965               823.1855               113.2029
  Dep-P Fr= 1--      0.3843                 0.0026                 0.2070
  Dep-U Fr= 1--      0.5553                 0.0051                 0.3430
 Alpha2 Fr= 1--      0.4523                18.1841                 1.5089
 Beta2  Fr= 1--      5.3487                 0.7000                 6.4717
 AlphaG Fr= 1--     -0.1323                -5.5141                 1.4726
 Gamma2 Fr= 1--     19.0018                -0.0598                -1.8087
 Delta2 Fr= 1--     19.0688                 5.5970                 1.4053
 Raman1 Fr= 1--     231.186               3292.742                452.812
 ROA1   Fr= 1--    2434.376                173.365               -128.669
 CID1   Fr= 1--      10.530                  0.053                 -0.284
 Raman2 Fr= 1--      64.185                  8.399                 77.660
 ROA2   Fr= 1--     303.494                -46.210                -54.651
 CID2   Fr= 1--       4.728                 -5.502                 -0.704
 Raman3 Fr= 1--     128.369                 16.799                155.321
 ROA3   Fr= 1--    2434.376                173.365               -128.669
 CID3   Fr= 1--      18.964                 10.320                 -0.828
 RC180  Fr= 1--       0.111                 -0.990                 -0.314
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00     0.02  -0.01  -0.02
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.05   0.04
     7   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.00  -0.03  -0.01     0.00  -0.02  -0.01     0.00  -0.00  -0.00
    15   6    -0.02  -0.00  -0.01    -0.02  -0.00  -0.01    -0.00   0.00  -0.00
    16   6     0.00   0.00  -0.02     0.00   0.00  -0.01    -0.00   0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    18   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    19   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    20   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    22   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    23   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    24   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.01   0.01
    25   6     0.00   0.00   0.01    -0.00  -0.00  -0.02     0.00  -0.00  -0.00
    26   6    -0.02  -0.00   0.01     0.02   0.00  -0.01     0.00  -0.00  -0.00
    27   6     0.00  -0.02   0.01    -0.00   0.03  -0.01    -0.00   0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6     0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    31   8    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    35   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    36   1    -0.03  -0.03  -0.00     0.04   0.04   0.00    -0.08  -0.08  -0.01
    37   1     0.02  -0.00  -0.02    -0.03   0.01   0.03     0.07  -0.01  -0.07
    38   1    -0.01  -0.00  -0.00     0.02   0.00   0.00     0.06   0.00   0.01
    39   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    40   1    -0.00   0.01   0.00     0.01  -0.01  -0.00    -0.00   0.00   0.00
    41   1    -0.11  -0.04  -0.00     0.15   0.06   0.00     0.00   0.00   0.00
    42   1     0.00   0.12  -0.08    -0.00  -0.17   0.12    -0.00  -0.00   0.00
    43   1     0.10  -0.11  -0.06    -0.14   0.16   0.08    -0.00   0.00   0.00
    44   1     0.04   0.03   0.10    -0.05  -0.05  -0.14     0.00  -0.00  -0.00
    45   1     0.14  -0.16  -0.08    -0.20   0.23   0.11    -0.00   0.00   0.00
    46   1    -0.00   0.14  -0.12     0.00  -0.20   0.16     0.00  -0.00   0.00
    47   1    -0.16   0.10   0.13     0.21  -0.14  -0.18     0.00  -0.00  -0.00
    48   1     0.22   0.15  -0.01    -0.30  -0.20   0.01    -0.00  -0.00   0.00
    49   1    -0.09  -0.02  -0.23     0.12   0.03   0.31     0.00   0.00   0.01
    50   1     0.00   0.17   0.12     0.00   0.12   0.09     0.00   0.00   0.00
    51   1    -0.15  -0.06   0.00    -0.11  -0.04   0.00    -0.01  -0.00   0.00
    52   1     0.14  -0.16   0.09     0.11  -0.12   0.06     0.01  -0.01   0.01
    53   1    -0.00   0.20   0.16    -0.00   0.15   0.12    -0.00   0.02   0.01
    54   1     0.20  -0.23   0.12     0.15  -0.17   0.08     0.02  -0.02   0.01
    55   1     0.05   0.05  -0.14     0.04   0.04  -0.10    -0.00   0.00  -0.00
    56   1    -0.02  -0.00   0.00    -0.01  -0.00   0.00    -0.34  -0.03   0.03
    57   1     0.00   0.00   0.00     0.00   0.00   0.00     0.09   0.11   0.16
    58   1     0.03  -0.01   0.03     0.02  -0.00   0.02    -0.43   0.09  -0.40
    59   1    -0.04  -0.04   0.00    -0.03  -0.03   0.00     0.47   0.48  -0.03
    60   1    -0.01   0.01  -0.00    -0.00   0.01  -0.00     0.01  -0.01   0.00
    61   1     0.30   0.20   0.01     0.21   0.14   0.01     0.03   0.02   0.00
    62   1    -0.21   0.13  -0.18    -0.15   0.10  -0.13    -0.02   0.01  -0.02
    63   1    -0.12  -0.03   0.30    -0.09  -0.02   0.22    -0.02  -0.00   0.05
                    163                    164                    165
                      A                      A                      A
 Frequencies --   3062.3155              3071.6227              3071.7453
 Red. masses --      1.0595                 1.0635                 1.0635
 Frc consts  --      5.8540                 5.9118                 5.9122
 IR Inten    --     30.5997                59.2053                31.7465
 RamAct Fr= 1--     83.5966                14.1992               568.4495
  Dep-P Fr= 1--      0.3362                 0.5614                 0.0653
  Dep-U Fr= 1--      0.5033                 0.7191                 0.1225
 Alpha2 Fr= 1--      0.7670                 0.0508                10.8264
 Beta2  Fr= 1--      7.0117                 1.7017                11.6089
 AlphaG Fr= 1--      0.7635                 0.0101                 1.0507
 Gamma2 Fr= 1--      7.3974                20.8082               -33.5162
 Delta2 Fr= 1--     15.5146                 8.3686               -33.3360
 Raman1 Fr= 1--     334.386                 56.797               2273.798
 ROA1   Fr= 1--    1206.613               2265.383              -4284.312
 CID1   Fr= 1--       3.608                 39.886                 -1.884
 Raman2 Fr= 1--      84.140                 20.421                139.307
 ROA2   Fr= 1--      53.420                432.448               -537.701
 CID2   Fr= 1--       0.635                 21.177                 -3.860
 Raman3 Fr= 1--     168.280                 40.841                278.614
 ROA3   Fr= 1--    1206.613               2265.383              -4284.312
 CID3   Fr= 1--       7.170                 55.468                -15.377
 RC180  Fr= 1--       0.007                  0.438                 -0.755
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00  -0.00  -0.00    -0.04   0.01   0.03     0.03  -0.01  -0.02
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     4   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
     5   6    -0.00  -0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     6   6    -0.00  -0.01   0.01     0.00  -0.02   0.01    -0.00   0.01  -0.01
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     8   8    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     9  29     0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00  -0.00
    10   8    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    11   6     0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    14   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    15   6    -0.00   0.00  -0.00    -0.00   0.00  -0.01     0.00  -0.00   0.01
    16   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    17   8    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    18   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    19   6    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    20   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    21   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    23   6     0.02  -0.01   0.02    -0.03   0.01  -0.02    -0.04   0.01  -0.03
    24   6    -0.00  -0.05  -0.04     0.00  -0.01  -0.01     0.00  -0.02  -0.01
    25   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    26   6    -0.00   0.00   0.00    -0.00   0.00   0.01    -0.00   0.00   0.01
    27   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    28   6     0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    29   6     0.00   0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    36   1     0.47   0.48   0.03     0.11   0.12   0.01     0.13   0.13   0.01
    37   1    -0.43   0.09   0.40    -0.15   0.03   0.14    -0.18   0.04   0.17
    38   1    -0.34  -0.03  -0.03     0.52   0.04   0.05     0.59   0.04   0.06
    39   1     0.09   0.11  -0.16    -0.12  -0.14   0.21    -0.13  -0.16   0.24
    40   1     0.01  -0.01  -0.00    -0.03   0.04   0.01    -0.03   0.05   0.01
    41   1    -0.01  -0.00  -0.00    -0.00  -0.00   0.00    -0.01  -0.00   0.00
    42   1     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    43   1     0.01  -0.01  -0.01     0.01  -0.01  -0.01     0.01  -0.01  -0.01
    44   1    -0.00   0.00   0.00    -0.01  -0.01  -0.03    -0.01  -0.01  -0.04
    45   1     0.02  -0.02  -0.01     0.02  -0.03  -0.01     0.03  -0.03  -0.02
    46   1    -0.00   0.02  -0.01     0.00   0.02  -0.02     0.00   0.03  -0.02
    47   1    -0.02   0.01   0.02    -0.01   0.00   0.00    -0.01   0.00   0.01
    48   1     0.03   0.02  -0.00     0.01   0.01  -0.00     0.01   0.01  -0.00
    49   1    -0.02  -0.00  -0.05    -0.00  -0.00  -0.01    -0.01  -0.00  -0.01
    50   1    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    51   1    -0.00  -0.00   0.00    -0.01  -0.00  -0.00     0.01   0.00   0.00
    52   1     0.00  -0.00   0.00     0.01  -0.01   0.01    -0.01   0.01  -0.01
    53   1    -0.00   0.00   0.00     0.00   0.03   0.02    -0.00  -0.02  -0.02
    54   1     0.00  -0.00   0.00     0.03  -0.03   0.02    -0.03   0.03  -0.01
    55   1    -0.00   0.00   0.00    -0.02  -0.01   0.04     0.01   0.01  -0.03
    56   1    -0.05  -0.00   0.01     0.59   0.04  -0.06    -0.52  -0.04   0.05
    57   1     0.01   0.02   0.03    -0.13  -0.16  -0.24     0.12   0.14   0.21
    58   1    -0.07   0.01  -0.07    -0.18   0.04  -0.16     0.16  -0.03   0.14
    59   1     0.08   0.08  -0.01     0.13   0.13  -0.01    -0.11  -0.12   0.01
    60   1     0.00  -0.00   0.00    -0.03   0.05  -0.01     0.03  -0.04   0.01
    61   1     0.00   0.00   0.00     0.01   0.01   0.00    -0.01  -0.01  -0.00
    62   1    -0.00   0.00  -0.00    -0.01   0.00  -0.01     0.01  -0.00   0.01
    63   1    -0.00  -0.00   0.01    -0.01  -0.00   0.01     0.01   0.00  -0.01
                    166                    167                    168
                      A                      A                      A
 Frequencies --   3087.0786              3087.0936              3093.6123
 Red. masses --      1.1012                 1.1012                 1.1005
 Frc consts  --      6.1834                 6.1835                 6.2054
 IR Inten    --      1.3013                 1.3328                 4.7043
 RamAct Fr= 1--      8.2454                 8.2982               122.4362
  Dep-P Fr= 1--      0.7454                 0.7454                 0.7102
  Dep-U Fr= 1--      0.8541                 0.8541                 0.8305
 Alpha2 Fr= 1--      0.0006                 0.0006                 0.0844
 Beta2  Fr= 1--      1.1737                 1.1813                16.9482
 AlphaG Fr= 1--     -0.0237                -0.0236                 0.7486
 Gamma2 Fr= 1--     -8.3559                -8.3823               -63.7356
 Delta2 Fr= 1--     -4.5947                -4.6241               -49.4968
 Raman1 Fr= 1--      32.982                 33.193                489.745
 ROA1   Fr= 1--    -949.198               -952.671              -7702.520
 CID1   Fr= 1--     -28.780                -28.701                -15.728
 Raman2 Fr= 1--      14.085                 14.176                203.378
 ROA2   Fr= 1--    -163.784               -164.182              -1133.681
 CID2   Fr= 1--     -11.628                -11.582                 -5.574
 Raman3 Fr= 1--      28.170                 28.351                406.757
 ROA3   Fr= 1--    -949.198               -952.671              -7702.520
 CID3   Fr= 1--     -33.695                -33.603                -18.936
 RC180  Fr= 1--       0.708                  0.708                  0.661
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     6   6    -0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     7   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     8   8    -0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29    -0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    10   8     0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    11   6    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    14   6     0.00   0.00  -0.00     0.01   0.00  -0.01    -0.00   0.00  -0.00
    15   6     0.00  -0.00  -0.00     0.03  -0.07  -0.01    -0.01   0.03   0.01
    16   6     0.00  -0.00  -0.00    -0.02   0.05   0.01    -0.02   0.03   0.00
    17   8    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    21   6     0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    22   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    23   6    -0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.01  -0.00   0.00
    25   6    -0.02   0.05  -0.01     0.00  -0.00   0.00     0.03  -0.06   0.01
    26   6     0.03  -0.07   0.01    -0.00   0.00   0.00     0.02  -0.04   0.01
    27   6     0.01   0.00   0.01     0.00   0.00   0.00     0.00  -0.00  -0.01
    28   6     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    29   6    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00  -0.00
    30   9     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    31   8    -0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    33   9     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    34   9     0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00   0.00
    35   9     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    36   1    -0.01  -0.01  -0.00     0.00   0.00   0.00     0.04   0.04   0.00
    37   1    -0.00   0.00   0.00    -0.00   0.00   0.00     0.03  -0.01  -0.03
    38   1     0.01   0.00   0.00     0.00   0.00   0.00    -0.00   0.00  -0.00
    39   1     0.00   0.01  -0.01    -0.00  -0.00   0.00    -0.02  -0.02   0.03
    40   1     0.00   0.00   0.00    -0.00   0.00   0.00     0.01  -0.01  -0.00
    41   1     0.01   0.02  -0.00    -0.00  -0.00   0.00    -0.03  -0.03   0.00
    42   1    -0.02  -0.33   0.24     0.00   0.00  -0.00     0.02   0.39  -0.29
    43   1     0.26  -0.27  -0.16    -0.00   0.00   0.00    -0.30   0.32   0.19
    44   1     0.02  -0.01   0.04    -0.00  -0.00  -0.00     0.01  -0.00   0.02
    45   1    -0.33   0.36   0.20     0.00  -0.00  -0.00    -0.20   0.22   0.12
    46   1     0.01   0.46  -0.38    -0.00  -0.00   0.00     0.01   0.29  -0.24
    47   1    -0.01   0.01   0.01    -0.00   0.00   0.00    -0.06   0.04   0.05
    48   1    -0.07  -0.05   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    49   1    -0.03  -0.01  -0.09    -0.00  -0.00  -0.00     0.01   0.00   0.03
    50   1     0.00   0.00   0.00    -0.02  -0.33  -0.24    -0.01  -0.24  -0.18
    51   1    -0.00  -0.00  -0.00     0.01   0.02   0.00     0.02   0.02   0.00
    52   1    -0.00   0.00  -0.00     0.26  -0.27   0.16     0.18  -0.20   0.12
    53   1     0.00   0.00   0.00     0.01   0.46   0.38    -0.00  -0.17  -0.15
    54   1    -0.00   0.00  -0.00    -0.33   0.37  -0.20     0.12  -0.14   0.08
    55   1     0.00  -0.00  -0.00     0.02  -0.01  -0.04    -0.01   0.00   0.01
    56   1     0.00   0.00  -0.00     0.01   0.00  -0.00     0.00  -0.00  -0.00
    57   1    -0.00  -0.00  -0.00     0.00   0.01   0.01     0.01   0.01   0.02
    58   1    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.02   0.01  -0.02
    59   1     0.00   0.00  -0.00    -0.01  -0.01   0.00    -0.03  -0.03   0.00
    60   1    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.01   0.01  -0.00
    61   1    -0.00  -0.00  -0.00    -0.07  -0.05  -0.00    -0.00   0.00  -0.00
    62   1    -0.00   0.00  -0.00    -0.01   0.01  -0.01     0.04  -0.02   0.03
    63   1    -0.00  -0.00   0.00    -0.03  -0.01   0.09    -0.01  -0.00   0.02
                    169                    170                    171
                      A                      A                      A
 Frequencies --   3093.6524              3094.7449              3094.7591
 Red. masses --      1.1005                 1.1054                 1.1054
 Frc consts  --      6.2056                 6.2376                 6.2377
 IR Inten    --     67.4750                 5.5416                 2.4058
 RamAct Fr= 1--    138.0065                32.1171                57.6772
  Dep-P Fr= 1--      0.7482                 0.5856                 0.5057
  Dep-U Fr= 1--      0.8560                 0.7387                 0.6717
 Alpha2 Fr= 1--      0.0041                 0.0986                 0.2773
 Beta2  Fr= 1--     19.6889                 3.9540                 6.4570
 AlphaG Fr= 1--      0.0389                -0.1304                -0.3674
 Gamma2 Fr= 1--     70.5064                15.8993                -4.3401
 Delta2 Fr= 1--     47.0418                 9.5400                 4.9011
 Raman1 Fr= 1--     552.026                128.468                230.709
 ROA1   Fr= 1--    8273.947               1831.609               -259.813
 CID1   Fr= 1--      14.988                 14.257                 -1.126
 Raman2 Fr= 1--     236.266                 47.448                 77.484
 ROA2   Fr= 1--    1315.818                305.263               -143.371
 CID2   Fr= 1--       5.569                  6.434                 -1.850
 Raman3 Fr= 1--     472.532                 94.896                154.969
 ROA3   Fr= 1--    8273.947               1831.609               -259.813
 CID3   Fr= 1--      17.510                 19.301                 -1.677
 RC180  Fr= 1--       0.712                  0.477                  0.343
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6     0.00   0.00   0.00     0.02   0.02   0.02    -0.01  -0.00  -0.01
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     3   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     6   6    -0.01  -0.00  -0.00    -0.07  -0.03  -0.03     0.02   0.01   0.01
     7   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
     9  29     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00   0.00  -0.00
    11   6    -0.00   0.00   0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    12   6     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00  -0.00
    14   6     0.00  -0.00   0.01     0.01   0.00  -0.00    -0.00  -0.00   0.00
    15   6     0.02  -0.04  -0.01    -0.00   0.01  -0.00     0.00  -0.00   0.00
    16   6     0.03  -0.06  -0.01    -0.00   0.01   0.00     0.00  -0.00  -0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    18   6     0.00  -0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    19   6    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    20   6     0.00  -0.00   0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    21   6    -0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6     0.00   0.00  -0.00     0.01   0.00  -0.01     0.02   0.02  -0.02
    24   6    -0.00  -0.00   0.00    -0.02  -0.01   0.01    -0.07  -0.03   0.03
    25   6     0.02  -0.03   0.01    -0.00   0.00  -0.00    -0.00   0.01  -0.00
    26   6     0.01  -0.03   0.01    -0.00   0.00   0.00    -0.00   0.01   0.00
    27   6     0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    29   6     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    32   9    -0.00   0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
    33   9    -0.00   0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
    34   9    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   9    -0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    36   1     0.03   0.03   0.00     0.10   0.11   0.01     0.40   0.43   0.05
    37   1     0.02  -0.01  -0.02     0.11  -0.03  -0.11     0.44  -0.11  -0.43
    38   1    -0.00   0.00  -0.00    -0.03  -0.00  -0.01    -0.14  -0.01  -0.02
    39   1    -0.01  -0.01   0.02    -0.04  -0.05   0.08    -0.15  -0.20   0.30
    40   1     0.01  -0.01  -0.00    -0.00   0.00   0.00    -0.00   0.01   0.00
    41   1    -0.02  -0.02   0.00    -0.00   0.00  -0.00    -0.01  -0.00  -0.00
    42   1     0.01   0.24  -0.18    -0.00  -0.01   0.01    -0.00  -0.05   0.03
    43   1    -0.18   0.20   0.12     0.01  -0.01  -0.01     0.04  -0.04  -0.02
    44   1     0.01  -0.00   0.01    -0.00  -0.00  -0.01    -0.01  -0.01  -0.04
    45   1    -0.12   0.14   0.07     0.01  -0.01  -0.00     0.03  -0.03  -0.02
    46   1     0.00   0.18  -0.15    -0.00  -0.01   0.01    -0.00  -0.02   0.02
    47   1    -0.04   0.02   0.03    -0.00   0.00   0.00    -0.02   0.01   0.02
    48   1     0.00   0.00  -0.00    -0.02  -0.01   0.00    -0.07  -0.05   0.00
    49   1     0.01   0.00   0.02    -0.01  -0.00  -0.02    -0.02  -0.00  -0.06
    50   1     0.02   0.39   0.28    -0.00  -0.05  -0.04     0.00   0.01   0.01
    51   1    -0.03  -0.03  -0.00    -0.01  -0.00   0.00     0.00   0.00  -0.00
    52   1    -0.30   0.32  -0.19     0.04  -0.04   0.02    -0.01   0.01  -0.01
    53   1     0.01   0.28   0.24    -0.00  -0.02  -0.02     0.00   0.00   0.00
    54   1    -0.20   0.22  -0.12     0.03  -0.04   0.02    -0.01   0.01  -0.00
    55   1     0.01  -0.00  -0.02    -0.01  -0.01   0.04     0.00   0.00  -0.01
    56   1    -0.00   0.00   0.00    -0.14  -0.01   0.02     0.03   0.00  -0.01
    57   1    -0.02  -0.02  -0.03    -0.15  -0.20  -0.30     0.04   0.05   0.08
    58   1     0.04  -0.01   0.04     0.44  -0.11   0.43    -0.11   0.03  -0.11
    59   1     0.04   0.05  -0.01     0.40   0.43  -0.05    -0.10  -0.11   0.01
    60   1     0.01  -0.01   0.00    -0.00   0.01  -0.00     0.00  -0.00   0.00
    61   1     0.00   0.00   0.00    -0.07  -0.05  -0.00     0.02   0.01   0.00
    62   1    -0.06   0.04  -0.05    -0.02   0.01  -0.02     0.01  -0.00   0.01
    63   1     0.01   0.00  -0.03    -0.02  -0.00   0.06     0.01   0.00  -0.02
                    172                    173                    174
                      A                      A                      A
 Frequencies --   3104.9284              3104.9963              3107.3770
 Red. masses --      1.1018                 1.1018                 1.1012
 Frc consts  --      6.2582                 6.2584                 6.2647
 IR Inten    --     30.7066                16.7525                 8.6717
 RamAct Fr= 1--     37.3389               102.7653                76.3721
  Dep-P Fr= 1--      0.7195                 0.7010                 0.7500
  Dep-U Fr= 1--      0.8369                 0.8242                 0.8571
 Alpha2 Fr= 1--      0.0196                 0.0877                 0.0000
 Beta2  Fr= 1--      5.2080                14.1168                10.9101
 AlphaG Fr= 1--      0.0655                 0.3232                 0.0087
 Gamma2 Fr= 1--     24.1748               -25.3044                23.4020
 Delta2 Fr= 1--     28.8159                -9.5005                 5.9873
 Raman1 Fr= 1--     149.356                411.061                305.488
 ROA1   Fr= 1--    3242.886              -2733.243               2438.184
 CID1   Fr= 1--      21.712                 -6.649                  7.981
 Raman2 Fr= 1--      62.496                169.402                130.921
 ROA2   Fr= 1--     349.667               -531.303                513.749
 CID2   Fr= 1--       5.595                 -3.136                  3.924
 Raman3 Fr= 1--     124.992                338.803                261.843
 ROA3   Fr= 1--    3242.886              -2733.243               2438.184
 CID3   Fr= 1--      25.945                 -8.067                  9.312
 RC180  Fr= 1--       0.674                  0.648                  0.714
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.01  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
     2   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
     3   6     0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00   0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6     0.01   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
     7   6     0.00   0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     8   8    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     9  29    -0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    10   8     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    11   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
    13   9    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
    14   6     0.06   0.03  -0.05     0.02   0.01  -0.02    -0.06   0.02  -0.07
    15   6    -0.00   0.01   0.00    -0.00   0.00   0.00     0.00  -0.01   0.00
    16   6     0.01  -0.01  -0.00     0.00  -0.00  -0.00     0.01  -0.00   0.00
    17   8    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    18   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6     0.00   0.00   0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    22   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    23   6    -0.00  -0.00   0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    24   6     0.00   0.00  -0.00    -0.01  -0.00   0.00    -0.00  -0.00   0.00
    25   6     0.00  -0.00   0.00    -0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   6    -0.00   0.00  -0.00     0.00  -0.01   0.00     0.00  -0.00  -0.00
    27   6     0.02   0.01   0.02    -0.06  -0.03  -0.05    -0.00   0.00   0.00
    28   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    30   9    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    31   8     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    33   9     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    34   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   9    -0.00   0.00   0.00    -0.00   0.00   0.00     0.00   0.00  -0.00
    36   1    -0.01  -0.01  -0.00     0.04   0.04   0.01     0.00   0.00   0.00
    37   1    -0.01   0.00   0.01     0.03  -0.01  -0.03     0.00  -0.00  -0.00
    38   1     0.01   0.00   0.00    -0.03  -0.00  -0.00    -0.00  -0.00  -0.00
    39   1     0.01   0.01  -0.02    -0.03  -0.04   0.06    -0.00  -0.00   0.00
    40   1    -0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    41   1    -0.02  -0.01  -0.00     0.04   0.02   0.00    -0.00  -0.00  -0.00
    42   1     0.00   0.02  -0.01    -0.00  -0.06   0.04     0.00   0.00  -0.00
    43   1    -0.02   0.02   0.01     0.04  -0.05  -0.03    -0.00   0.00   0.00
    44   1    -0.00  -0.00  -0.00     0.00  -0.00   0.01     0.00   0.00   0.00
    45   1     0.01  -0.01  -0.00    -0.02   0.03   0.01    -0.00   0.00   0.00
    46   1    -0.00  -0.02   0.01     0.00   0.05  -0.04     0.00   0.00  -0.00
    47   1     0.01  -0.00  -0.00    -0.04   0.01   0.00     0.03  -0.02  -0.02
    48   1    -0.18  -0.12   0.01     0.50   0.35  -0.03     0.02   0.01   0.00
    49   1    -0.09  -0.02  -0.22     0.25   0.05   0.64    -0.01  -0.00  -0.01
    50   1     0.00   0.06   0.04     0.00   0.02   0.02     0.00   0.02   0.01
    51   1    -0.04  -0.02   0.00    -0.01  -0.00   0.00    -0.08  -0.04   0.00
    52   1    -0.04   0.05  -0.03    -0.01   0.02  -0.01    -0.04   0.05  -0.03
    53   1    -0.00  -0.05  -0.04    -0.00  -0.02  -0.02     0.00   0.04   0.03
    54   1     0.02  -0.03   0.01     0.01  -0.01   0.00    -0.03   0.03  -0.02
    55   1    -0.00  -0.00   0.01    -0.00   0.00   0.00     0.01   0.01  -0.02
    56   1     0.04   0.00  -0.00     0.01   0.00  -0.00    -0.02  -0.00   0.00
    57   1     0.03   0.04   0.06     0.01   0.01   0.02    -0.02  -0.03  -0.04
    58   1    -0.03   0.01  -0.03    -0.01   0.00  -0.01     0.01  -0.00   0.01
    59   1    -0.04  -0.04   0.01    -0.01  -0.01   0.00     0.01   0.01  -0.00
    60   1    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.01   0.01  -0.00
    61   1    -0.51  -0.36  -0.03    -0.18  -0.12  -0.01     0.30   0.22  -0.00
    62   1     0.01   0.01  -0.02     0.00   0.00  -0.00     0.57  -0.38   0.48
    63   1    -0.24  -0.05   0.63    -0.09  -0.02   0.22    -0.15  -0.02   0.32
                    175                    176                    177
                      A                      A                      A
 Frequencies --   3107.4617              3112.2185              3112.2990
 Red. masses --      1.1012                 1.0998                 1.0998
 Frc consts  --      6.2652                 6.2764                 6.2768
 IR Inten    --      9.0460                33.3902                 8.0729
 RamAct Fr= 1--     81.5742                31.9273                90.8137
  Dep-P Fr= 1--      0.7500                 0.7368                 0.7287
  Dep-U Fr= 1--      0.8571                 0.8485                 0.8431
 Alpha2 Fr= 1--      0.0000                 0.0072                 0.0331
 Beta2  Fr= 1--     11.6533                 4.5150                12.7605
 AlphaG Fr= 1--     -0.0097                -0.0064                -0.0332
 Gamma2 Fr= 1--    -20.5507                27.9183               -26.3046
 Delta2 Fr= 1--    -24.4259                15.4442               -19.6859
 Raman1 Fr= 1--     326.297                127.709                363.255
 ROA1   Fr= 1--   -2754.498               3174.373              -3155.189
 CID1   Fr= 1--      -8.442                 24.856                 -8.686
 Raman2 Fr= 1--     139.839                 54.180                153.126
 ROA2   Fr= 1--    -297.811                546.485               -473.823
 CID2   Fr= 1--      -2.130                 10.087                 -3.094
 Raman3 Fr= 1--     279.678                108.359                306.253
 ROA3   Fr= 1--   -2754.498               3174.373              -3155.189
 CID3   Fr= 1--      -9.849                 29.295                -10.303
 RC180  Fr= 1--       0.714                  0.697                  0.686
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.01   0.01   0.01
     2   6    -0.00   0.00  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     4   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00  -0.00   0.00
     6   6     0.00   0.00  -0.00     0.00   0.00   0.00     0.01   0.00   0.00
     7   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   8    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
     9  29     0.00   0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00   0.00
    10   8    -0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00  -0.00     0.00   0.00  -0.00
    12   6     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    13   9    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    14   6     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.01
    15   6    -0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    16   6    -0.00   0.00  -0.00    -0.03  -0.01  -0.01    -0.07  -0.03  -0.02
    17   8     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6     0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    23   6     0.00   0.00  -0.00     0.01   0.01  -0.01    -0.01  -0.00   0.00
    24   6    -0.00  -0.00   0.00     0.01   0.00  -0.00    -0.00  -0.00   0.00
    25   6     0.01  -0.00  -0.00    -0.07  -0.03   0.02     0.03   0.01  -0.01
    26   6     0.00  -0.01  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    27   6    -0.06   0.01   0.06    -0.00   0.00   0.01     0.00  -0.00  -0.00
    28   6    -0.00  -0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    29   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    30   9     0.00  -0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    31   8     0.00  -0.00   0.00    -0.00   0.00  -0.00     0.00   0.00   0.00
    32   9     0.00   0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    33   9     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    34   9    -0.00  -0.00  -0.00     0.00  -0.00  -0.00    -0.00  -0.00  -0.00
    35   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    36   1     0.01   0.01   0.00    -0.03  -0.04  -0.00     0.01   0.01   0.00
    37   1     0.01  -0.00  -0.02    -0.05   0.01   0.04     0.02  -0.00  -0.02
    38   1    -0.02  -0.00  -0.00    -0.09  -0.00  -0.01     0.04   0.00   0.00
    39   1    -0.02  -0.03   0.04    -0.06  -0.09   0.13     0.03   0.03  -0.05
    40   1    -0.01   0.01   0.00    -0.01   0.01   0.00     0.00  -0.01  -0.00
    41   1    -0.08  -0.03  -0.00     0.75   0.31   0.02    -0.27  -0.11  -0.01
    42   1     0.00   0.01  -0.01    -0.01   0.25  -0.18     0.00  -0.09   0.07
    43   1    -0.04   0.05   0.03     0.14  -0.18  -0.09    -0.05   0.07   0.03
    44   1     0.01   0.01   0.02     0.02   0.02   0.05    -0.01  -0.01  -0.02
    45   1    -0.03   0.03   0.02    -0.01   0.01   0.01     0.00  -0.00  -0.00
    46   1     0.00   0.04  -0.03     0.00   0.00  -0.00    -0.00  -0.00   0.00
    47   1     0.57  -0.38  -0.48     0.04  -0.03  -0.03    -0.02   0.01   0.01
    48   1     0.32   0.24   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   1    -0.14  -0.02  -0.29    -0.02  -0.01  -0.06     0.01   0.00   0.02
    50   1    -0.00  -0.00  -0.00    -0.00   0.09   0.07    -0.01   0.25   0.18
    51   1     0.01   0.00  -0.00     0.28   0.11  -0.01     0.75   0.31  -0.02
    52   1     0.00  -0.00   0.00     0.05  -0.07   0.03     0.14  -0.18   0.09
    53   1    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00   0.00
    54   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.01
    55   1    -0.00  -0.00   0.00     0.01   0.01  -0.02     0.02   0.02  -0.05
    56   1     0.00   0.00  -0.00    -0.03  -0.00   0.00    -0.09  -0.00   0.01
    57   1     0.00   0.00   0.00    -0.02  -0.03  -0.04    -0.06  -0.09  -0.13
    58   1    -0.00   0.00  -0.00    -0.02   0.00  -0.02    -0.05   0.01  -0.05
    59   1    -0.00  -0.00   0.00    -0.01  -0.01   0.00    -0.03  -0.04   0.00
    60   1     0.00  -0.00   0.00    -0.00   0.00  -0.00    -0.01   0.01  -0.00
    61   1    -0.01  -0.01   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    62   1    -0.03   0.02  -0.02     0.01  -0.01   0.01     0.04  -0.03   0.03
    63   1     0.01   0.00  -0.01    -0.01  -0.00   0.02    -0.02  -0.00   0.06
                    178                    179                    180
                      A                      A                      A
 Frequencies --   3115.5825              3115.6570              3128.1736
 Red. masses --      1.1035                 1.1035                 1.0883
 Frc consts  --      6.3113                 6.3115                 6.2748
 IR Inten    --     74.1376                33.3872                34.8870
 RamAct Fr= 1--     24.0208               108.7474                57.2377
  Dep-P Fr= 1--      0.7497                 0.7352                 0.2089
  Dep-U Fr= 1--      0.8569                 0.8474                 0.3457
 Alpha2 Fr= 1--      0.0001                 0.0275                 0.7590
 Beta2  Fr= 1--      3.4307                15.3586                 3.2976
 AlphaG Fr= 1--     -0.0002                -0.0548                 0.4083
 Gamma2 Fr= 1--     49.7934               -53.8108                30.0189
 Delta2 Fr= 1--     38.7887               -43.9531                19.5201
 Raman1 Fr= 1--      96.083                434.989                228.951
 ROA1   Fr= 1--    6021.407              -6572.338               3506.460
 CID1   Fr= 1--      62.669                -15.109                 15.315
 Raman2 Fr= 1--      41.169                184.304                 39.571
 ROA2   Fr= 1--     884.732               -939.835                564.294
 CID2   Fr= 1--      21.490                 -5.099                 14.260
 Raman3 Fr= 1--      82.338                368.607                 79.142
 ROA3   Fr= 1--    6021.407              -6572.338               3506.460
 CID3   Fr= 1--      73.131                -17.830                 44.306
 RC180  Fr= 1--       0.714                  0.695                 -0.309
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.04  -0.03  -0.03    -0.04  -0.02  -0.03     0.01   0.00  -0.00
     2   6     0.00  -0.00   0.00     0.00  -0.00   0.00     0.04  -0.07   0.02
     3   6    -0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00   0.00   0.00
     5   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00  -0.00
     6   6    -0.02  -0.01  -0.01    -0.02  -0.01  -0.01     0.00   0.00  -0.00
     7   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00   0.00
     8   8     0.00   0.00   0.00     0.00   0.00   0.00     0.00  -0.00  -0.00
     9  29     0.00  -0.00  -0.00    -0.00   0.00  -0.00    -0.00   0.00   0.00
    10   8    -0.00   0.00  -0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    11   6     0.00   0.00   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    12   6     0.00   0.00  -0.00     0.00   0.00  -0.00     0.00  -0.00   0.00
    13   9     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00  -0.00  -0.00
    14   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    15   6     0.00   0.00  -0.01     0.00   0.00  -0.01    -0.00  -0.00   0.01
    16   6    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.00  -0.00   0.00
    17   8     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    18   6     0.00  -0.00   0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    19   6    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00   0.00   0.00
    20   6    -0.00  -0.00  -0.00     0.00   0.00   0.00     0.00   0.00  -0.00
    21   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.01  -0.02  -0.00
    22   6    -0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    23   6    -0.04  -0.02   0.03     0.04   0.03  -0.03     0.00  -0.00   0.00
    24   6    -0.02  -0.01   0.01     0.02   0.01  -0.01     0.00   0.00   0.00
    25   6    -0.01  -0.01   0.00     0.01   0.01  -0.00     0.00  -0.00  -0.00
    26   6     0.00   0.00   0.01    -0.00  -0.00  -0.01     0.00  -0.00  -0.00
    27   6    -0.00  -0.00   0.00     0.00   0.00  -0.00     0.00  -0.00  -0.00
    28   6     0.00   0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
    29   6     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00  -0.00
    30   9     0.00  -0.00  -0.00    -0.00   0.00   0.00    -0.00  -0.00   0.00
    31   8    -0.00   0.00   0.00     0.00  -0.00   0.00     0.00   0.00  -0.00
    32   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00   0.00
    33   9    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    34   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    35   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00    -0.00  -0.00  -0.00
    36   1     0.11   0.13   0.01    -0.13  -0.14  -0.02    -0.00  -0.00  -0.00
    37   1     0.15  -0.04  -0.15    -0.17   0.04   0.16     0.00   0.00  -0.00
    38   1     0.27   0.01   0.04    -0.30  -0.02  -0.04    -0.02  -0.00  -0.00
    39   1     0.19   0.25  -0.39    -0.21  -0.28   0.43     0.00   0.00  -0.00
    40   1    -0.02   0.03   0.01     0.02  -0.03  -0.01    -0.14   0.22   0.06
    41   1     0.12   0.05   0.00    -0.14  -0.06  -0.00    -0.00  -0.00  -0.00
    42   1    -0.00   0.04  -0.03     0.00  -0.05   0.04     0.00  -0.00   0.00
    43   1     0.02  -0.03  -0.01    -0.03   0.03   0.02    -0.00   0.00   0.00
    44   1    -0.04  -0.04  -0.11     0.04   0.04   0.12     0.00   0.00   0.01
    45   1     0.02  -0.02  -0.01    -0.02   0.02   0.01    -0.01   0.00   0.00
    46   1     0.00   0.03  -0.02    -0.00  -0.04   0.02    -0.00  -0.00   0.00
    47   1     0.02  -0.02  -0.02    -0.03   0.02   0.02    -0.00   0.00   0.00
    48   1     0.03   0.02  -0.00    -0.03  -0.02   0.00    -0.00  -0.00  -0.00
    49   1     0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    50   1    -0.00   0.05   0.03    -0.00   0.05   0.03     0.00  -0.00  -0.00
    51   1     0.14   0.06  -0.00     0.13   0.05  -0.00    -0.02  -0.01   0.00
    52   1     0.03  -0.03   0.02     0.02  -0.03   0.02    -0.02   0.02  -0.01
    53   1     0.00   0.03   0.02     0.00   0.03   0.02    -0.00  -0.01  -0.01
    54   1     0.02  -0.02   0.01     0.02  -0.02   0.01    -0.02   0.02  -0.01
    55   1    -0.04  -0.04   0.12    -0.04  -0.04   0.11     0.02   0.02  -0.05
    56   1     0.31   0.02  -0.04     0.27   0.01  -0.04    -0.08  -0.01   0.01
    57   1     0.21   0.28   0.43     0.19   0.25   0.38     0.00   0.00   0.01
    58   1     0.17  -0.04   0.16     0.15  -0.04   0.15    -0.00   0.00  -0.00
    59   1     0.13   0.14  -0.02     0.11   0.13  -0.01    -0.01  -0.01   0.00
    60   1    -0.02   0.03  -0.01    -0.02   0.03  -0.01    -0.50   0.78  -0.20
    61   1     0.03   0.02   0.00     0.03   0.02   0.00    -0.01  -0.00  -0.00
    62   1     0.02  -0.02   0.02     0.02  -0.02   0.02    -0.01   0.00  -0.01
    63   1     0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.01
                    181                    182                    183
                      A                      A                      A
 Frequencies --   3128.2902              3132.7690              3132.8393
 Red. masses --      1.0884                 1.0959                 1.0959
 Frc consts  --      6.2753                 6.3371                 6.3373
 IR Inten    --     12.4325                22.4453                25.1824
 RamAct Fr= 1--    172.9040                74.8328                65.5990
  Dep-P Fr= 1--      0.1851                 0.5936                 0.4807
  Dep-U Fr= 1--      0.3123                 0.7450                 0.6493
 Alpha2 Fr= 1--      2.4421                 0.2176                 0.3535
 Beta2  Fr= 1--      9.0011                 9.2918                 7.0988
 AlphaG Fr= 1--      1.2960                 0.1952                 0.3153
 Gamma2 Fr= 1--    -36.0137                 7.0450                 0.1357
 Delta2 Fr= 1--    -20.4987                -0.1883                -0.9170
 Raman1 Fr= 1--     691.616                299.331                262.396
 ROA1   Fr= 1--   -4113.275                670.294                -16.320
 CID1   Fr= 1--      -5.947                  2.239                 -0.062
 Raman2 Fr= 1--     108.013                111.502                 85.186
 ROA2   Fr= 1--    -700.339                170.586                 10.592
 CID2   Fr= 1--      -6.484                  1.530                  0.124
 Raman3 Fr= 1--     216.026                223.004                170.372
 ROA3   Fr= 1--   -4113.275                670.294                -16.320
 CID3   Fr= 1--     -19.041                  3.006                 -0.096
 RC180  Fr= 1--      -0.375                  0.490                  0.299
  Atom  AN      X      Y      Z        X      Y      Z        X      Y      Z
     1   6    -0.00  -0.00   0.00     0.02   0.01   0.01     0.00   0.00   0.00
     2   6    -0.01   0.02  -0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
     3   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00    -0.00  -0.00   0.00
     4   6     0.00  -0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00   0.00
     5   6     0.00  -0.00   0.00     0.00   0.00   0.00     0.00   0.00   0.00
     6   6    -0.00  -0.00   0.00     0.01   0.01   0.00     0.00   0.00   0.00
     7   6    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00  -0.00
     8   8    -0.00   0.00   0.00     0.00  -0.00  -0.00    -0.00  -0.00   0.00
     9  29    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00  -0.00
    10   8    -0.00  -0.00  -0.00     0.00   0.00   0.00    -0.00   0.00   0.00
    11   6    -0.00   0.00   0.00    -0.00  -0.00  -0.00     0.00  -0.00  -0.00
    12   6    -0.00   0.00  -0.00     0.00  -0.00  -0.00     0.00  -0.00  -0.00
    13   9     0.00   0.00   0.00    -0.00  -0.00   0.00    -0.00   0.00   0.00
    14   6    -0.00  -0.00  -0.00    -0.00   0.00  -0.00     0.00   0.00  -0.00
    15   6     0.00   0.00  -0.00     0.02   0.02  -0.08     0.00   0.00  -0.01
    16   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00    -0.00  -0.00   0.00
    17   8     0.00  -0.00   0.00     0.00  -0.00   0.00    -0.00   0.00  -0.00
    18   6    -0.00   0.00  -0.00    -0.00   0.00  -0.00     0.00  -0.00   0.00
    19   6    -0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00   0.00
    20   6     0.00   0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    21   6     0.04  -0.07  -0.02     0.00  -0.00  -0.00    -0.00   0.00   0.00
    22   6    -0.00   0.00  -0.00    -0.00  -0.00  -0.00     0.00   0.00   0.00
    23   6     0.01   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.01
    24   6     0.00   0.00   0.00     0.00   0.00  -0.00    -0.01  -0.01   0.00
    25   6     0.00  -0.00  -0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    26   6    -0.00  -0.00  -0.01     0.00   0.00   0.01    -0.02  -0.02  -0.08
    27   6     0.00   0.00  -0.00    -0.00   0.00   0.00     0.00  -0.00  -0.00
    28   6    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00   0.00  -0.00
    29   6     0.00  -0.00  -0.00     0.00   0.00  -0.00    -0.00   0.00  -0.00
    30   9    -0.00  -0.00   0.00     0.00  -0.00  -0.00     0.00   0.00   0.00
    31   8     0.00   0.00  -0.00     0.00  -0.00   0.00    -0.00  -0.00   0.00
    32   9    -0.00  -0.00   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    33   9    -0.00  -0.00   0.00    -0.00  -0.00   0.00     0.00  -0.00   0.00
    34   9     0.00  -0.00   0.00    -0.00   0.00   0.00     0.00   0.00   0.00
    35   9     0.00   0.00   0.00    -0.00   0.00   0.00    -0.00   0.00   0.00
    36   1    -0.01  -0.01  -0.00    -0.01  -0.01  -0.00     0.08   0.08   0.01
    37   1    -0.00   0.00   0.00    -0.01   0.00   0.01     0.04  -0.01  -0.04
    38   1    -0.08  -0.01  -0.01    -0.02  -0.00  -0.00     0.15   0.01   0.02
    39   1     0.00   0.00  -0.01    -0.00  -0.01   0.01     0.04   0.05  -0.08
    40   1    -0.50   0.78   0.20    -0.00   0.00   0.00     0.03  -0.04  -0.01
    41   1    -0.02  -0.01  -0.00     0.00   0.00   0.00    -0.01  -0.00  -0.00
    42   1     0.00  -0.01   0.00    -0.00   0.00  -0.00     0.00  -0.01   0.01
    43   1    -0.02   0.02   0.01     0.00  -0.00  -0.00    -0.00   0.00   0.00
    44   1     0.02   0.02   0.05    -0.04  -0.03  -0.10     0.31   0.28   0.81
    45   1    -0.02   0.02   0.01     0.02  -0.02  -0.01    -0.13   0.14   0.06
    46   1    -0.00  -0.01   0.01     0.00   0.02  -0.02    -0.00  -0.19   0.14
    47   1    -0.01   0.00   0.01     0.00  -0.00  -0.00    -0.01   0.00   0.00
    48   1    -0.01  -0.01   0.00     0.00   0.00   0.00    -0.00  -0.00  -0.00
    49   1     0.00   0.00   0.01    -0.00  -0.00  -0.00     0.00   0.00   0.01
    50   1    -0.00   0.00   0.00    -0.00   0.01   0.01    -0.00   0.00   0.00
    51   1     0.01   0.00  -0.00     0.01   0.00  -0.00     0.00   0.00  -0.00
    52   1     0.00  -0.01   0.00     0.00  -0.00   0.00     0.00  -0.00   0.00
    53   1     0.00   0.00   0.00     0.00   0.19   0.14     0.00   0.02   0.02
    54   1     0.01  -0.01   0.00     0.13  -0.14   0.06     0.02  -0.02   0.01
    55   1    -0.01  -0.01   0.02    -0.32  -0.28   0.81    -0.04  -0.03   0.10
    56   1     0.02   0.00  -0.00    -0.15  -0.01   0.02    -0.02  -0.00   0.00
    57   1    -0.00  -0.00  -0.00    -0.04  -0.05  -0.08    -0.00  -0.01  -0.01
    58   1     0.00  -0.00   0.00    -0.04   0.01  -0.04    -0.01   0.00  -0.01
    59   1     0.00   0.00  -0.00    -0.08  -0.08   0.01    -0.01  -0.01   0.00
    60   1     0.14  -0.22   0.06    -0.02   0.04  -0.01    -0.00   0.01  -0.00
    61   1     0.00   0.00   0.00     0.00   0.00  -0.00    -0.00  -0.00  -0.00
    62   1     0.00  -0.00   0.00     0.01  -0.00   0.00     0.00  -0.00   0.00
    63   1    -0.00  -0.00   0.00    -0.00  -0.00   0.01    -0.00  -0.00   0.00

 -------------------
 - Thermochemistry -
 -------------------
 Temperature   298.150 Kelvin.  Pressure   1.00000 Atm.
 Atom     1 has atomic number  6 and mass  12.00000
 Atom     2 has atomic number  6 and mass  12.00000
 Atom     3 has atomic number  6 and mass  12.00000
 Atom     4 has atomic number  6 and mass  12.00000
 Atom     5 has atomic number  6 and mass  12.00000
 Atom     6 has atomic number  6 and mass  12.00000
 Atom     7 has atomic number  6 and mass  12.00000
 Atom     8 has atomic number  8 and mass  15.99491
 Atom     9 has atomic number 29 and mass  62.92960
 Atom    10 has atomic number  8 and mass  15.99491
 Atom    11 has atomic number  6 and mass  12.00000
 Atom    12 has atomic number  6 and mass  12.00000
 Atom    13 has atomic number  9 and mass  18.99840
 Atom    14 has atomic number  6 and mass  12.00000
 Atom    15 has atomic number  6 and mass  12.00000
 Atom    16 has atomic number  6 and mass  12.00000
 Atom    17 has atomic number  8 and mass  15.99491
 Atom    18 has atomic number  6 and mass  12.00000
 Atom    19 has atomic number  6 and mass  12.00000
 Atom    20 has atomic number  6 and mass  12.00000
 Atom    21 has atomic number  6 and mass  12.00000
 Atom    22 has atomic number  6 and mass  12.00000
 Atom    23 has atomic number  6 and mass  12.00000
 Atom    24 has atomic number  6 and mass  12.00000
 Atom    25 has atomic number  6 and mass  12.00000
 Atom    26 has atomic number  6 and mass  12.00000
 Atom    27 has atomic number  6 and mass  12.00000
 Atom    28 has atomic number  6 and mass  12.00000
 Atom    29 has atomic number  6 and mass  12.00000
 Atom    30 has atomic number  9 and mass  18.99840
 Atom    31 has atomic number  8 and mass  15.99491
 Atom    32 has atomic number  9 and mass  18.99840
 Atom    33 has atomic number  9 and mass  18.99840
 Atom    34 has atomic number  9 and mass  18.99840
 Atom    35 has atomic number  9 and mass  18.99840
 Atom    36 has atomic number  1 and mass   1.00783
 Atom    37 has atomic number  1 and mass   1.00783
 Atom    38 has atomic number  1 and mass   1.00783
 Atom    39 has atomic number  1 and mass   1.00783
 Atom    40 has atomic number  1 and mass   1.00783
 Atom    41 has atomic number  1 and mass   1.00783
 Atom    42 has atomic number  1 and mass   1.00783
 Atom    43 has atomic number  1 and mass   1.00783
 Atom    44 has atomic number  1 and mass   1.00783
 Atom    45 has atomic number  1 and mass   1.00783
 Atom    46 has atomic number  1 and mass   1.00783
 Atom    47 has atomic number  1 and mass   1.00783
 Atom    48 has atomic number  1 and mass   1.00783
 Atom    49 has atomic number  1 and mass   1.00783
 Atom    50 has atomic number  1 and mass   1.00783
 Atom    51 has atomic number  1 and mass   1.00783
 Atom    52 has atomic number  1 and mass   1.00783
 Atom    53 has atomic number  1 and mass   1.00783
 Atom    54 has atomic number  1 and mass   1.00783
 Atom    55 has atomic number  1 and mass   1.00783
 Atom    56 has atomic number  1 and mass   1.00783
 Atom    57 has atomic number  1 and mass   1.00783
 Atom    58 has atomic number  1 and mass   1.00783
 Atom    59 has atomic number  1 and mass   1.00783
 Atom    60 has atomic number  1 and mass   1.00783
 Atom    61 has atomic number  1 and mass   1.00783
 Atom    62 has atomic number  1 and mass   1.00783
 Atom    63 has atomic number  1 and mass   1.00783
 Molecular mass:   557.11878 amu.
 Principal axes and moments of inertia in atomic units:
                           1         2         3
     Eigenvalues --  9988.68466********************
           X            0.99872   0.05048   0.00000
           Y           -0.05048   0.99872  -0.00000
           Z           -0.00000  -0.00000   1.00000
 This molecule is an asymmetric top.
 Rotational symmetry number  1.
 Warning -- assumption of classical behavior for rotation
           may cause significant error
 Rotational temperatures (Kelvin)      0.00867     0.00313     0.00254
 Rotational constants (GHZ):           0.18068     0.06517     0.05287
 Zero-point vibrational energy    1287395.3 (Joules/Mol)
                                  307.69487 (Kcal/Mol)
 Warning -- explicit consideration of  61 degrees of freedom as
           vibrations may cause significant error
 Vibrational temperatures:     11.19    19.28    41.52    48.33    57.87
          (Kelvin)             66.07    74.10    88.90   135.81   143.67
                              162.11   167.21   168.23   192.21   203.40
                              232.90   243.30   248.24   272.76   273.12
                              297.95   306.19   312.15   321.87   328.24
                              328.96   335.16   340.46   362.38   367.88
                              381.15   388.77   396.44   410.95   416.14
                              444.28   445.07   463.84   464.39   531.23
                              551.37   566.93   567.78   612.31   642.10
                              643.09   655.36   705.82   721.32   723.48
                              745.31   746.02   754.08   767.24   770.14
                              816.04   821.29   853.56   855.22   873.63
                              892.00   943.47   946.09  1001.55  1008.68
                             1039.56  1040.44  1076.79  1077.08  1091.04
                             1094.06  1180.40  1182.92  1200.47  1200.79
                             1246.11  1246.27  1271.32  1271.60  1301.54
                             1301.66  1344.39  1344.43  1372.44  1372.45
                             1383.20  1383.23  1408.19  1408.27  1470.69
                             1470.72  1482.41  1482.56  1562.01  1562.83
                             1597.54  1597.59  1614.16  1615.22  1631.25
                             1631.54  1665.10  1665.36  1690.51  1690.91
                             1699.20  1699.54  1733.31  1736.33  1745.20
                             1745.71  1767.58  1768.35  1797.64  1800.97
                             1805.11  1806.80  1813.90  1814.33  1864.15
                             1865.74  1892.96  1894.03  1914.00  1914.14
                             1950.99  1952.19  2026.63  2026.79  2041.51
                             2041.54  2056.63  2056.80  2098.31  2117.18
                             2136.69  2136.75  2137.56  2137.61  2148.93
                             2149.05  2157.65  2157.85  2162.62  2162.75
                             2173.20  2173.28  2185.62  2185.67  2193.75
                             2193.79  2226.80  2243.97  2399.29  2419.89
                             4367.96  4367.99  4374.62  4374.67  4379.15
                             4379.31  4405.93  4405.99  4419.38  4419.56
                             4441.62  4441.64  4451.02  4451.08  4452.65
                             4452.67  4467.30  4467.40  4470.82  4470.94
                             4477.79  4477.90  4482.63  4482.74  4500.74
                             4500.91  4507.36  4507.46
 
 Zero-point correction=                           0.490343 (Hartree/Particle)
 Thermal correction to Energy=                    0.524989
 Thermal correction to Enthalpy=                  0.525933
 Thermal correction to Gibbs Free Energy=         0.421795
 Sum of electronic and zero-point Energies=          -3472.400674
 Sum of electronic and thermal Energies=             -3472.366029
 Sum of electronic and thermal Enthalpies=           -3472.365084
 Sum of electronic and thermal Free Energies=        -3472.469223
 
                     E (Thermal)             CV                S
                      KCal/Mol        Cal/Mol-Kelvin    Cal/Mol-Kelvin
 Total                  329.435            132.643            219.177
 Electronic               0.000              0.000              1.377
 Translational            0.889              2.981             44.838
 Rotational               0.889              2.981             37.488
 Vibrational            327.658            126.681            135.474
 Vibration     1          0.593              1.987              8.510
 Vibration     2          0.593              1.987              7.430
 Vibration     3          0.593              1.984              5.906
 Vibration     4          0.594              1.983              5.605
 Vibration     5          0.594              1.981              5.248
 Vibration     6          0.595              1.979              4.986
 Vibration     7          0.596              1.977              4.759
 Vibration     8          0.597              1.973              4.399
 Vibration     9          0.603              1.953              3.567
 Vibration    10          0.604              1.949              3.457
 Vibration    11          0.607              1.939              3.222
 Vibration    12          0.608              1.936              3.162
 Vibration    13          0.608              1.935              3.151
 Vibration    14          0.613              1.920              2.894
 Vibration    15          0.615              1.912              2.785
 Vibration    16          0.622              1.889              2.528
 Vibration    17          0.625              1.881              2.445
 Vibration    18          0.626              1.876              2.408
 Vibration    19          0.633              1.854              2.232
 Vibration    20          0.633              1.854              2.230
 Vibration    21          0.641              1.830              2.069
 Vibration    22          0.644              1.821              2.019
 Vibration    23          0.646              1.815              1.984
 Vibration    24          0.649              1.805              1.929
 Vibration    25          0.651              1.798              1.894
 Vibration    26          0.651              1.797              1.890
 Vibration    27          0.654              1.791              1.856
 Vibration    28          0.656              1.785              1.828
 Vibration    29          0.664              1.760              1.717
 Vibration    30          0.666              1.753              1.691
 Vibration    31          0.671              1.737              1.629
 Vibration    32          0.674              1.728              1.595
 Vibration    33          0.677              1.719              1.561
 Vibration    34          0.683              1.700              1.500
 Vibration    35          0.686              1.694              1.478
 Vibration    36          0.698              1.657              1.369
 Vibration    37          0.699              1.656              1.366
 Vibration    38          0.707              1.631              1.298
 Vibration    39          0.708              1.630              1.296
 Vibration    40          0.742              1.535              1.083
 Vibration    41          0.752              1.506              1.026
 Vibration    42          0.761              1.483              0.985
 Vibration    43          0.762              1.482              0.983
 Vibration    44          0.787              1.415              0.873
 Vibration    45          0.806              1.369              0.807
 Vibration    46          0.806              1.368              0.805
 Vibration    47          0.814              1.349              0.779
 Vibration    48          0.846              1.271              0.682
 Vibration    49          0.857              1.247              0.655
 Vibration    50          0.858              1.244              0.651
 Vibration    51          0.873              1.210              0.615
 Vibration    52          0.874              1.209              0.613
 Vibration    53          0.879              1.197              0.600
 Vibration    54          0.888              1.176              0.580
 Vibration    55          0.890              1.172              0.576
 Vibration    56          0.923              1.102              0.510
 Vibration    57          0.927              1.094              0.503
 Vibration    58          0.951              1.046              0.461
 Vibration    59          0.952              1.044              0.459
 Vibration    60          0.966              1.017              0.437
 Vibration    61          0.980              0.990              0.417
                       Q            Log10(Q)             Ln(Q)
 Total Bot       0.973115-194       -194.011836       -446.728761
 Total V=0       0.338908D+32         31.530082         72.600697
 Vib (Bot)       0.270639-210       -210.567609       -484.849838
 Vib (Bot)    1  0.266391D+02          1.425520          3.282381
 Vib (Bot)    2  0.154648D+02          1.189343          2.738564
 Vib (Bot)    3  0.717443D+01          0.855788          1.970524
 Vib (Bot)    4  0.616249D+01          0.789756          1.818481
 Vib (Bot)    5  0.514436D+01          0.711331          1.637900
 Vib (Bot)    6  0.450350D+01          0.653550          1.504854
 Vib (Bot)    7  0.401348D+01          0.603521          1.389659
 Vib (Bot)    8  0.334155D+01          0.523948          1.206434
 Vib (Bot)    9  0.217642D+01          0.337743          0.777682
 Vib (Bot)   10  0.205529D+01          0.312873          0.720416
 Vib (Bot)   11  0.181669D+01          0.259281          0.597016
 Vib (Bot)   12  0.175991D+01          0.245490          0.565261
 Vib (Bot)   13  0.174894D+01          0.242775          0.559010
 Vib (Bot)   14  0.152459D+01          0.183154          0.421728
 Vib (Bot)   15  0.143777D+01          0.157689          0.363093
 Vib (Bot)   16  0.124816D+01          0.096271          0.221672
 Vib (Bot)   17  0.119209D+01          0.076308          0.175706
 Vib (Bot)   18  0.116703D+01          0.067083          0.154464
 Vib (Bot)   19  0.105589D+01          0.023619          0.054386
 Vib (Bot)   20  0.105440D+01          0.023006          0.052974
 Vib (Bot)   21  0.960208D+00         -0.017635         -0.040606
 Vib (Bot)   22  0.932220D+00         -0.030482         -0.070186
 Vib (Bot)   23  0.912882D+00         -0.039585         -0.091149
 Vib (Bot)   24  0.882800D+00         -0.054138         -0.124657
 Vib (Bot)   25  0.864020D+00         -0.063476         -0.146159
 Vib (Bot)   26  0.861955D+00         -0.064516         -0.148552
 Vib (Bot)   27  0.844409D+00         -0.073447         -0.169119
 Vib (Bot)   28  0.829908D+00         -0.080970         -0.186441
 Vib (Bot)   29  0.774217D+00         -0.111138         -0.255904
 Vib (Bot)   30  0.761236D+00         -0.118481         -0.272812
 Vib (Bot)   31  0.731399D+00         -0.135846         -0.312796
 Vib (Bot)   32  0.715162D+00         -0.145595         -0.335246
 Vib (Bot)   33  0.699387D+00         -0.155282         -0.357551
 Vib (Bot)   34  0.671115D+00         -0.173203         -0.398815
 Vib (Bot)   35  0.661445D+00         -0.179506         -0.413329
 Vib (Bot)   36  0.612792D+00         -0.212687         -0.489730
 Vib (Bot)   37  0.611521D+00         -0.213588         -0.491806
 Vib (Bot)   38  0.582272D+00         -0.234874         -0.540818
 Vib (Bot)   39  0.581444D+00         -0.235492         -0.542241
 Vib (Bot)   40  0.493352D+00         -0.306843         -0.706531
 Vib (Bot)   41  0.470743D+00         -0.327216         -0.753442
 Vib (Bot)   42  0.454304D+00         -0.342654         -0.788990
 Vib (Bot)   43  0.453428D+00         -0.343492         -0.790918
 Vib (Bot)   44  0.410826D+00         -0.386342         -0.889585
 Vib (Bot)   45  0.385412D+00         -0.414075         -0.953442
 Vib (Bot)   46  0.384606D+00         -0.414984         -0.955537
 Vib (Bot)   47  0.374795D+00         -0.426206         -0.981376
 Vib (Bot)   48  0.337821D+00         -0.471313         -1.085239
 Vib (Bot)   49  0.327434D+00         -0.484876         -1.116469
 Vib (Bot)   50  0.326024D+00         -0.486751         -1.120785
 Vib (Bot)   51  0.312164D+00         -0.505617         -1.164227
 Vib (Bot)   52  0.311728D+00         -0.506224         -1.165624
 Vib (Bot)   53  0.306812D+00         -0.513127         -1.181519
 Vib (Bot)   54  0.298995D+00         -0.524335         -1.207327
 Vib (Bot)   55  0.297310D+00         -0.526790         -1.212980
 Vib (Bot)   56  0.272111D+00         -0.565255         -1.301547
 Vib (Bot)   57  0.269400D+00         -0.569602         -1.311556
 Vib (Bot)   58  0.253438D+00         -0.596128         -1.372636
 Vib (Bot)   59  0.252649D+00         -0.597483         -1.375755
 Vib (Bot)   60  0.244088D+00         -0.612453         -1.410225
 Vib (Bot)   61  0.235892D+00         -0.627287         -1.444381
 Vib (V=0)       0.942560D+15         14.974309         34.479621
 Vib (V=0)    1  0.271438D+02          1.433671          3.301149
 Vib (V=0)    2  0.159728D+02          1.203382          2.770890
 Vib (V=0)    3  0.769184D+01          0.886030          2.040159
 Vib (V=0)    4  0.668274D+01          0.824955          1.899528
 Vib (V=0)    5  0.566860D+01          0.753476          1.734942
 Vib (V=0)    6  0.503117D+01          0.701669          1.615652
 Vib (V=0)    7  0.454450D+01          0.657487          1.513919
 Vib (V=0)    8  0.387875D+01          0.588692          1.355513
 Vib (V=0)    9  0.273312D+01          0.436658          1.005443
 Vib (V=0)   10  0.261523D+01          0.417510          0.961353
 Vib (V=0)   11  0.238424D+01          0.377350          0.868881
 Vib (V=0)   12  0.232955D+01          0.367273          0.845677
 Vib (V=0)   13  0.231901D+01          0.365302          0.841140
 Vib (V=0)   14  0.210449D+01          0.323147          0.744073
 Vib (V=0)   15  0.202223D+01          0.305830          0.704201
 Vib (V=0)   16  0.184458D+01          0.265899          0.612254
 Vib (V=0)   17  0.179270D+01          0.253508          0.583723
 Vib (V=0)   18  0.176963D+01          0.247883          0.570772
 Vib (V=0)   19  0.166829D+01          0.222272          0.511801
 Vib (V=0)   20  0.166695D+01          0.221922          0.510994
 Vib (V=0)   21  0.158259D+01          0.199368          0.459062
 Vib (V=0)   22  0.155784D+01          0.192524          0.443303
 Vib (V=0)   23  0.154084D+01          0.187758          0.432329
 Vib (V=0)   24  0.151456D+01          0.180287          0.415126
 Vib (V=0)   25  0.149826D+01          0.175588          0.404307
 Vib (V=0)   26  0.149648D+01          0.175070          0.403114
 Vib (V=0)   27  0.148134D+01          0.170654          0.392946
 Vib (V=0)   28  0.146889D+01          0.166989          0.384507
 Vib (V=0)   29  0.142164D+01          0.152788          0.351808
 Vib (V=0)   30  0.141076D+01          0.149452          0.344127
 Vib (V=0)   31  0.138597D+01          0.141754          0.326401
 Vib (V=0)   32  0.137261D+01          0.137549          0.316718
 Vib (V=0)   33  0.135973D+01          0.133454          0.307289
 Vib (V=0)   34  0.133690D+01          0.126098          0.290351
 Vib (V=0)   35  0.132916D+01          0.123578          0.284548
 Vib (V=0)   36  0.129089D+01          0.110891          0.255335
 Vib (V=0)   37  0.128991D+01          0.110559          0.254573
 Vib (V=0)   38  0.126749D+01          0.102944          0.237038
 Vib (V=0)   39  0.126686D+01          0.102729          0.236543
 Vib (V=0)   40  0.120242D+01          0.080057          0.184338
 Vib (V=0)   41  0.118673D+01          0.074352          0.171202
 Vib (V=0)   42  0.117557D+01          0.070248          0.161751
 Vib (V=0)   43  0.117498D+01          0.070030          0.161251
 Vib (V=0)   44  0.114713D+01          0.059613          0.137264
 Vib (V=0)   45  0.113130D+01          0.053579          0.123369
 Vib (V=0)   46  0.113081D+01          0.053390          0.122934
 Vib (V=0)   47  0.112488D+01          0.051105          0.117674
 Vib (V=0)   48  0.110343D+01          0.042743          0.098420
 Vib (V=0)   49  0.109767D+01          0.040473          0.093192
 Vib (V=0)   50  0.109690D+01          0.040168          0.092489
 Vib (V=0)   51  0.108945D+01          0.037206          0.085669
 Vib (V=0)   52  0.108922D+01          0.037114          0.085457
 Vib (V=0)   53  0.108663D+01          0.036081          0.083080
 Vib (V=0)   54  0.108258D+01          0.034460          0.079346
 Vib (V=0)   55  0.108172D+01          0.034113          0.078548
 Vib (V=0)   56  0.106925D+01          0.029079          0.066956
 Vib (V=0)   57  0.106796D+01          0.028554          0.065749
 Vib (V=0)   58  0.106056D+01          0.025536          0.058800
 Vib (V=0)   59  0.106021D+01          0.025391          0.058464
 Vib (V=0)   60  0.105640D+01          0.023828          0.054865
 Vib (V=0)   61  0.105285D+01          0.022367          0.051502
 Electronic      0.200000D+01          0.301030          0.693147
 Translational   0.516863D+09          8.713376         20.063289
 Rotational      0.347830D+08          7.541368         17.364641
 ***** Axes restored to original set *****
 -------------------------------------------------------------------
 Center     Atomic                   Forces (Hartrees/Bohr)
 Number     Number              X              Y              Z
 -------------------------------------------------------------------
      1        6           0.000007018    0.000025545   -0.000029899
      2        6           0.000019616    0.000000012    0.000011579
      3        6          -0.000012171    0.000012788    0.000002471
      4        6          -0.000012525    0.000000822   -0.000004275
      5        6           0.000003012   -0.000018180    0.000018963
      6        6          -0.000009664   -0.000021720    0.000007303
      7        6           0.000046203    0.000045895    0.000021747
      8        8           0.000008163    0.000006475    0.000003022
      9       29          -0.000013591    0.000006867   -0.000003870
     10        8           0.000007086   -0.000005854   -0.000006343
     11        6           0.000000855   -0.000008847   -0.000004225
     12        6          -0.000004459   -0.000005579    0.000005324
     13        9           0.000005075    0.000003561    0.000005250
     14        6           0.000010323   -0.000010859   -0.000013835
     15        6          -0.000008818   -0.000014399   -0.000015120
     16        6          -0.000008396    0.000005057    0.000002058
     17        8           0.000000253   -0.000001503   -0.000000038
     18        6           0.000008945    0.000010944   -0.000007448
     19        6          -0.000008639    0.000014764   -0.000024171
     20        6          -0.000063661   -0.000029029    0.000041858
     21        6           0.000016492   -0.000001263   -0.000018688
     22        6          -0.000001210   -0.000010534    0.000010944
     23        6          -0.000000318   -0.000020940   -0.000005886
     24        6           0.000005109    0.000015959    0.000001782
     25        6           0.000007816    0.000004765    0.000006723
     26        6           0.000008047    0.000019992   -0.000014156
     27        6           0.000000585    0.000002025    0.000000457
     28        6           0.000009173   -0.000006560   -0.000005572
     29        6           0.000008166    0.000005796    0.000002185
     30        9          -0.000009693   -0.000004589    0.000007224
     31        8           0.000003930   -0.000008862    0.000001887
     32        9          -0.000009771   -0.000001854   -0.000008217
     33        9          -0.000007992   -0.000004025   -0.000006191
     34        9          -0.000000695    0.000003365   -0.000005930
     35        9           0.000004409    0.000008044   -0.000002848
     36        1           0.000001014   -0.000004542    0.000018316
     37        1           0.000000242    0.000000864    0.000000415
     38        1           0.000000981    0.000000217    0.000008029
     39        1          -0.000003235    0.000011270    0.000004033
     40        1           0.000006643    0.000022186   -0.000004427
     41        1          -0.000000351    0.000004301   -0.000010720
     42        1           0.000002274   -0.000001022   -0.000016082
     43        1          -0.000000530   -0.000003349   -0.000001086
     44        1           0.000007401    0.000007212    0.000006876
     45        1           0.000009039    0.000002340   -0.000004436
     46        1           0.000002984   -0.000006544   -0.000001427
     47        1          -0.000000008    0.000001814   -0.000003067
     48        1          -0.000005507   -0.000022997    0.000005860
     49        1           0.000013476   -0.000013260    0.000010627
     50        1           0.000003154   -0.000009928   -0.000002268
     51        1          -0.000001584    0.000001961    0.000004241
     52        1           0.000000913    0.000002247   -0.000002296
     53        1          -0.000000358    0.000003558   -0.000003546
     54        1          -0.000002902   -0.000004101   -0.000000336
     55        1          -0.000024121   -0.000002750    0.000007105
     56        1          -0.000002878   -0.000006679   -0.000002635
     57        1           0.000005118   -0.000002410    0.000000233
     58        1           0.000001513    0.000001133   -0.000004478
     59        1           0.000001705   -0.000006738    0.000003842
     60        1          -0.000000621   -0.000010437   -0.000007037
     61        1          -0.000009592    0.000011347    0.000007362
     62        1           0.000000278   -0.000004139   -0.000000949
     63        1          -0.000013719    0.000010367    0.000013783
 -------------------------------------------------------------------
 Cartesian Forces:  Max     0.000063661 RMS     0.000011827
 End of FrcOut F.D. properties on file   721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.403253D+03  0.352500D+02  0.636003D-02
      2   0.352500D+02  0.342698D+03 -0.280380D-02
      3   0.636003D-02 -0.280380D-02  0.254991D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.123502D+02  0.227900D+02  0.397972D-01
      2   0.698216D+01  0.468508D+02  0.253618D-01
      3   0.238719D-01  0.411281D-02 -0.509473D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.210180D+00  0.361734D-01 -0.811452D-01
      2  -0.142204D+00  0.774678D-02 -0.112315D+03
      3  -0.679764D-01 -0.439202D-01  0.112397D+03
      4  -0.328264D-01 -0.590864D-01  0.892476D+02
      5   0.143328D+03  0.902531D+02  0.342835D-01
      6   0.133136D+02  0.507098D+02 -0.117463D+00
 End of FrcOut F.D. properties on file   722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.826316D+01 -0.927985D+00  0.178271D+01 -0.348528D+00  0.230482D+01
      2  -0.927985D+00  0.572936D+00  0.545033D+00  0.230482D+01 -0.764121D+00
      3   0.178271D+01  0.545033D+00  0.201665D+01 -0.164887D+00  0.362177D+00
                 6             7             8             9            10 
      1  -0.164887D+00 -0.164226D+01 -0.858358D+00  0.241556D+01 -0.253273D+01
      2   0.362177D+00 -0.858358D+00 -0.105034D+01  0.356602D+01  0.126033D+00
      3   0.356875D+01  0.241556D+01  0.356602D+01  0.347061D+00 -0.293913D+00
                11            12            13            14            15 
      1   0.126033D+00 -0.293913D+00  0.839277D+00 -0.463750D+01  0.117368D+01
      2  -0.332594D+01  0.101653D+01 -0.463750D+01 -0.682707D+00 -0.215583D+01
      3   0.101653D+01 -0.200839D+01  0.117368D+01 -0.215583D+01 -0.445134D+01
                16            17            18            19            20 
      1   0.916954D+00  0.121535D+01 -0.424371D+01  0.153669D+02  0.670655D+01
      2   0.121535D+01  0.318169D+00 -0.302629D+01  0.670655D+01  0.112117D+02
      3  -0.424371D+01 -0.302629D+01  0.319904D+00  0.274362D+00  0.995845D+00
                21            22            23            24            25 
      1   0.274362D+00  0.197855D+01  0.403377D+01 -0.182664D+00  0.627015D-01
      2   0.995845D+00  0.403377D+01  0.162390D+02  0.226016D+01  0.202684D+00
      3   0.153777D+01 -0.182664D+00  0.226016D+01  0.171539D+01  0.380510D+01
                26            27            28            29            30 
      1   0.202684D+00  0.380510D+01 -0.946060D+01  0.613507D+00 -0.350238D+00
      2   0.196207D+01  0.195612D+01  0.613507D+00  0.989719D+01  0.547025D+00
      3   0.195612D+01  0.816716D+00 -0.350238D+00  0.547025D+00 -0.504153D+00
                31            32            33            34            35 
      1   0.598005D+01  0.571147D+01 -0.400932D+00  0.121587D+01 -0.625635D+00
      2   0.571147D+01  0.308909D+01 -0.355115D-01 -0.625635D+00  0.105932D+01
      3  -0.400932D+00 -0.355115D-01  0.202961D+00  0.156479D+01  0.264441D+01
                36            37            38            39            40 
      1   0.156479D+01 -0.981167D+00  0.186885D+01 -0.608704D+00  0.952102D+01
      2   0.264441D+01  0.186885D+01  0.629948D+00  0.226485D+01  0.211709D+01
      3   0.836890D+00 -0.608704D+00  0.226485D+01 -0.340607D+01  0.254887D+01
                41            42            43            44            45 
      1   0.211709D+01  0.254887D+01  0.106777D+01  0.506194D+01 -0.540019D+01
      2  -0.110949D+01 -0.179718D+01  0.506194D+01 -0.600199D+00 -0.140569D+01
      3  -0.179718D+01  0.177818D+01 -0.540019D+01 -0.140569D+01  0.270278D+01
                46            47            48            49            50 
      1  -0.332683D+00 -0.372690D+01  0.181724D+01 -0.515288D+01 -0.526019D+01
      2  -0.372690D+01 -0.370004D+01 -0.434477D+00 -0.526019D+01  0.350833D+00
      3   0.181724D+01 -0.434477D+00  0.344746D+01  0.471522D+00  0.227932D+01
                51            52            53            54            55 
      1   0.471522D+00 -0.267445D+01 -0.329670D+01  0.491982D+01 -0.149360D+01
      2   0.227932D+01 -0.329670D+01 -0.235814D+00 -0.311517D+00 -0.524880D+01
      3  -0.975138D+00  0.491982D+01 -0.311517D+00 -0.182662D+01  0.163490D+01
                56            57            58            59            60 
      1  -0.524880D+01  0.163490D+01 -0.829983D+01  0.948882D+00 -0.198957D+01
      2  -0.270998D+00 -0.180565D+01  0.948882D+00  0.187689D+01  0.342068D+01
      3  -0.180565D+01  0.414616D+01 -0.198957D+01  0.342068D+01  0.303090D+01
                61            62            63            64            65 
      1   0.395895D+01 -0.125745D+01  0.482618D+01  0.924038D+01  0.383017D+01
      2  -0.125745D+01  0.350261D+01  0.264994D+01  0.383017D+01 -0.106943D+02
      3   0.482618D+01  0.264994D+01 -0.118911D+01  0.874340D+00 -0.147789D+01
                66            67            68            69            70 
      1   0.874340D+00  0.692367D+01  0.398169D+00  0.344131D+00  0.160491D+01
      2  -0.147789D+01  0.398169D+00  0.572953D+01  0.558330D+00  0.403421D-01
      3  -0.257650D+00  0.344131D+00  0.558330D+00  0.751275D+00 -0.117277D+01
                71            72            73            74            75 
      1   0.403421D-01 -0.117277D+01 -0.112690D-01  0.299756D-01 -0.153911D+00
      2  -0.334456D+00  0.115955D+01  0.299756D-01 -0.248710D-01 -0.359434D+00
      3   0.115955D+01  0.370432D+00 -0.153911D+00 -0.359434D+00  0.693579D-02
                76            77            78            79            80 
      1   0.842744D-02 -0.459922D-02 -0.863244D+00  0.175835D+01  0.586997D+00
      2  -0.459922D-02  0.194050D-01  0.335173D+00  0.586997D+00  0.318368D+00
      3  -0.863244D+00  0.335173D+00  0.413345D-02  0.119594D-02  0.576100D-05
                81            82            83            84            85 
      1   0.119594D-02 -0.338242D+01 -0.103923D+02 -0.183191D+01 -0.756772D+01
      2   0.576100D-05 -0.103923D+02 -0.363315D+01 -0.826050D+00  0.135358D+01
      3  -0.228293D+00 -0.183191D+01 -0.826050D+00 -0.103474D+00  0.626591D+00
                86            87            88            89            90 
      1   0.135358D+01  0.626591D+00 -0.202745D+01  0.426251D+00 -0.198173D+01
      2  -0.169310D+01 -0.404586D-01  0.426251D+00  0.389495D+00 -0.111977D+01
      3  -0.404586D-01 -0.111518D+00 -0.198173D+01 -0.111977D+01 -0.290081D+00
                91            92            93            94            95 
      1  -0.656386D+01  0.496322D+01  0.807192D+00 -0.901850D+01 -0.155925D+02
      2   0.496322D+01 -0.538615D+01 -0.406113D+00 -0.155925D+02 -0.265284D+02
      3   0.807192D+00 -0.406113D+00 -0.154210D+01 -0.203011D+01 -0.316521D+01
                96            97            98            99           100 
      1  -0.203011D+01 -0.264891D+01 -0.235450D+01 -0.222287D+01 -0.997996D+00
      2  -0.316521D+01 -0.235450D+01 -0.350689D+01 -0.482578D+01 -0.449312D+01
      3  -0.268515D+01 -0.222287D+01 -0.482578D+01 -0.182735D+01 -0.305499D+00
               101           102           103           104           105 
      1  -0.449312D+01 -0.305499D+00  0.101940D+01  0.989216D+01  0.168925D+01
      2  -0.318453D+01 -0.156205D+00  0.989216D+01  0.396949D+01  0.573376D+00
      3  -0.156205D+00 -0.112541D+01  0.168925D+01  0.573376D+00 -0.629045D+00
               106           107           108           109           110 
      1   0.161834D+01  0.144252D+01 -0.916429D+00  0.279014D+01  0.762823D+00
      2   0.144252D+01 -0.878607D+00  0.854359D+00  0.762823D+00  0.432462D+01
      3  -0.916429D+00  0.854359D+00 -0.417835D+00  0.158779D+01  0.333562D-02
               111           112           113           114           115 
      1   0.158779D+01 -0.127085D+01 -0.412913D+00 -0.525286D+00  0.146390D+01
      2   0.333562D-02 -0.412913D+00 -0.435974D+01  0.115770D+01  0.410956D+00
      3   0.906325D+00 -0.525286D+00  0.115770D+01 -0.515715D+00  0.152005D+01
               116           117           118           119           120 
      1   0.410956D+00  0.152005D+01 -0.164567D+01 -0.516290D+01  0.367645D+00
      2   0.411087D+01 -0.140697D+01 -0.516290D+01 -0.166106D+01 -0.166113D+01
      3  -0.140697D+01  0.363648D+01  0.367645D+00 -0.166113D+01  0.313895D+01
               121           122           123           124           125 
      1  -0.412722D+01 -0.166113D+01 -0.162443D+01  0.417817D+00 -0.184227D+01
      2  -0.166113D+01 -0.103990D+00  0.179763D+01 -0.184227D+01  0.195300D+01
      3  -0.162443D+01  0.179763D+01 -0.398154D+00  0.298609D+01 -0.774613D+00
               126           127           128           129           130 
      1   0.298609D+01  0.163704D+01  0.459729D+01 -0.656297D+00  0.684249D+01
      2  -0.774613D+00  0.459729D+01 -0.109276D+00  0.171383D+01 -0.197636D+01
      3  -0.366459D+01 -0.656297D+00  0.171383D+01 -0.242957D+01  0.187921D+01
               131           132           133           134           135 
      1  -0.197636D+01  0.187921D+01 -0.148998D+01  0.920709D+00 -0.349362D+01
      2  -0.212767D+01 -0.303577D+01  0.920709D+00 -0.316662D+01 -0.303481D+01
      3  -0.303577D+01 -0.256751D+01 -0.349362D+01 -0.303481D+01  0.142751D+01
               136           137           138           139           140 
      1   0.340690D+01  0.422002D+01 -0.136271D+01  0.476373D+01 -0.156672D+01
      2   0.422002D+01 -0.421589D+00  0.188821D+01 -0.156672D+01 -0.127197D+01
      3  -0.136271D+01  0.188821D+01 -0.255262D+01  0.165321D+01 -0.413319D+01
               141           142           143           144           145 
      1   0.165321D+01 -0.133831D+01  0.113030D+01 -0.255125D+01 -0.925402D+01
      2  -0.413319D+01  0.113030D+01 -0.302215D+01 -0.221097D+01 -0.383024D+01
      3  -0.218598D+01 -0.255125D+01 -0.221097D+01  0.121240D+01  0.887783D+00
               146           147           148           149           150 
      1  -0.383024D+01  0.887783D+00 -0.691695D+01 -0.383024D+00  0.341759D+00
      2   0.106839D+02 -0.148834D+01 -0.383024D+00 -0.573741D+01  0.563499D+00
      3  -0.148834D+01  0.261262D+00  0.341759D+00  0.563499D+00 -0.754954D+00
               151           152           153           154           155 
      1   0.161105D+01  0.433096D-01  0.117421D+01  0.946664D+01 -0.619142D+00
      2   0.433096D-01 -0.330360D+00 -0.116270D+01 -0.619142D+00 -0.987593D+01
      3   0.117421D+01 -0.116270D+01  0.369168D+00 -0.367901D+00  0.551104D+00
               156           157           158           159           160 
      1  -0.367901D+00 -0.593832D+01 -0.570674D+01 -0.409412D+00  0.120956D+01
      2   0.551104D+00 -0.570674D+01 -0.310380D+01 -0.384614D-01 -0.609882D+00
      3   0.506614D+00 -0.409412D+00 -0.384614D-01 -0.197988D+00 -0.156526D+01
               161           162           163           164           165 
      1  -0.609882D+00 -0.156526D+01  0.101058D+01 -0.189564D+01 -0.606610D+00
      2   0.104170D+01 -0.263733D+01 -0.189564D+01 -0.594042D+00  0.226710D+01
      3  -0.263733D+01  0.838247D+00 -0.606610D+00  0.226710D+01  0.340256D+01
               166           167           168           169           170 
      1  -0.949094D+01 -0.212716D+01  0.253860D+01  0.106566D+01  0.508108D+01
      2  -0.212716D+01  0.111440D+01 -0.179684D+01  0.508108D+01 -0.598012D+00
      3   0.253860D+01 -0.179684D+01 -0.176881D+01  0.538545D+01  0.141461D+01
               171           172           173           174           175 
      1   0.538545D+01  0.149948D+01  0.522066D+01  0.165420D+01  0.827004D+01
      2   0.141461D+01  0.522066D+01  0.289415D+00 -0.179827D+01 -0.933138D+00
      3   0.272388D+01  0.165420D+01 -0.179827D+01 -0.413435D+01 -0.199347D+01
               176           177           178           179           180 
      1  -0.933138D+00 -0.199347D+01  0.395742D+01 -0.125172D+01 -0.481020D+01
      2  -0.191696D+01  0.342531D+01 -0.125172D+01  0.348825D+01 -0.265478D+01
      3   0.342531D+01 -0.305060D+01 -0.481020D+01 -0.265478D+01 -0.121331D+01
               181           182           183           184           185 
      1   0.250292D+01 -0.964414D-01 -0.296372D+00 -0.840662D+00  0.461587D+01
      2  -0.964414D-01  0.330705D+01  0.101264D+01  0.461587D+01  0.703937D+00
      3  -0.296372D+00  0.101264D+01  0.200447D+01  0.117039D+01 -0.213785D+01
               186           187           188           189           190 
      1   0.117039D+01  0.971863D+00  0.119335D+01  0.426168D+01 -0.153547D+02
      2  -0.213785D+01  0.119335D+01  0.354119D+00  0.301568D+01 -0.669274D+01
      3   0.445782D+01  0.426168D+01  0.301568D+01  0.330766D+00  0.296107D+00
               191           192           193           194           195 
      1  -0.669274D+01  0.296107D+00 -0.198418D+01 -0.399956D+01 -0.166056D+00
      2  -0.111841D+02  0.986081D+00 -0.399956D+01 -0.162580D+02  0.224433D+01
      3   0.986081D+00 -0.153188D+01 -0.166056D+00  0.224433D+01 -0.171613D+01
               196           197           198           199           200 
      1   0.577053D-01  0.199938D+00 -0.380167D+01  0.827140D+01  0.940777D+00
      2   0.199938D+00  0.194939D+01 -0.194732D+01  0.940777D+00 -0.565683D+00
      3  -0.380167D+01 -0.194732D+01  0.817572D+00  0.179850D+01  0.550890D+00
               201           202           203           204           205 
      1   0.179850D+01  0.367379D+00 -0.233102D+01 -0.160556D+00 -0.160164D+01
      2   0.550890D+00 -0.233102D+01  0.776512D+00  0.342229D+00 -0.840433D+00
      3  -0.201152D+01 -0.160556D+00  0.342229D+00 -0.357139D+01 -0.240144D+01
               206           207           208           209           210 
      1  -0.840433D+00 -0.240144D+01  0.316782D+00  0.374102D+01  0.183560D+01
      2  -0.105819D+01 -0.357287D+01  0.374102D+01  0.368905D+01 -0.445779D+00
      3  -0.357287D+01  0.351643D+00  0.183560D+01 -0.445779D+00 -0.344377D+01
               211           212           213           214           215 
      1   0.514623D+01  0.526262D+01  0.477596D+00 -0.267831D+01 -0.328078D+01
      2   0.526262D+01 -0.347339D+00  0.228058D+01 -0.328078D+01 -0.251288D+00
      3   0.477596D+00  0.228058D+01  0.973935D+00 -0.491025D+01  0.294108D+00
               216           217           218           219           220 
      1  -0.491025D+01 -0.341952D+01 -0.421596D+01 -0.135443D+01 -0.476544D+01
      2   0.294108D+00 -0.421596D+01  0.425843D+00  0.186317D+01  0.155877D+01
      3  -0.183860D+01 -0.135443D+01  0.186317D+01  0.254683D+01  0.164642D+01
               221           222           223           224           225 
      1   0.155877D+01  0.164642D+01 -0.134917D+01  0.110112D+01  0.253894D+01
      2   0.127723D+01 -0.414084D+01  0.110112D+01 -0.302813D+01  0.221823D+01
      3  -0.414084D+01  0.219726D+01  0.253894D+01  0.221823D+01  0.121272D+01
               226           227           228           229           230 
      1  -0.160910D+01 -0.459378D+01 -0.681937D+00 -0.686474D+01  0.199541D+01
      2  -0.459378D+01  0.894403D-01  0.171304D+01  0.199541D+01  0.210169D+01
      3  -0.681937D+00  0.171304D+01  0.242080D+01  0.186386D+01 -0.301947D+01
               231           232           233           234           235 
      1   0.186386D+01 -0.151056D+01  0.901828D+00  0.348638D+01  0.161214D+01
      2  -0.301947D+01  0.901828D+00 -0.314587D+01  0.305131D+01  0.515015D+01
      3   0.257962D+01  0.348638D+01  0.305131D+01  0.144686D+01  0.376198D+00
               236           237           238           239           240 
      1   0.515015D+01  0.376198D+00  0.410962D+01  0.170611D+01 -0.161177D+01
      2   0.165658D+01 -0.165841D+01  0.170611D+01  0.107133D+00  0.178430D+01
      3  -0.165841D+01 -0.313464D+01 -0.161177D+01  0.178430D+01  0.375420D+00
               241           242           243           244           245 
      1   0.444643D+00 -0.185304D+01 -0.298865D+01  0.657375D+01 -0.498430D+01
      2  -0.185304D+01  0.196700D+01  0.771192D+00 -0.498430D+01  0.536810D+01
      3  -0.298865D+01  0.771192D+00 -0.366980D+01  0.800576D+00 -0.399540D+00
               246           247           248           249           250 
      1   0.800576D+00  0.898208D+01  0.155699D+02 -0.203280D+01 -0.264388D+01
      2  -0.399540D+00  0.155699D+02  0.265220D+02 -0.316538D+01 -0.235954D+01
      3   0.154141D+01 -0.203280D+01 -0.316538D+01  0.268957D+01  0.222047D+01
               251           252           253           254           255 
      1  -0.235954D+01  0.222047D+01  0.982638D+00  0.449985D+01 -0.301712D+00
      2  -0.349614D+01  0.482399D+01  0.449985D+01  0.317669D+01 -0.152666D+00
      3   0.482399D+01 -0.183308D+01 -0.301712D+00 -0.152666D+00  0.112451D+01
               256           257           258           259           260 
      1  -0.102538D+01 -0.986920D+01  0.167997D+01  0.162951D+01  0.143188D+01
      2  -0.986920D+01 -0.397723D+01  0.582256D+00  0.143188D+01 -0.867214D+00
      3   0.167997D+01  0.582256D+00  0.616624D+00  0.920535D+00 -0.855484D+00
               261           262           263           264           265 
      1   0.920535D+00 -0.279284D+01 -0.762657D+00  0.158855D+01  0.127495D+01
      2  -0.855484D+00 -0.762657D+00 -0.432978D+01  0.770306D-03  0.389436D+00
      3  -0.417325D+00  0.158855D+01  0.770306D-03 -0.909067D+00 -0.523985D+00
               266           267           268           269           270 
      1   0.389436D+00 -0.523985D+00  0.146619D+01  0.407835D+00 -0.151568D+01
      2   0.437365D+01  0.115708D+01  0.407835D+00  0.411103D+01  0.140594D+01
      3   0.115708D+01  0.523319D+00 -0.151568D+01  0.140594D+01  0.363878D+01
               271           272           273           274           275 
      1   0.336938D+01  0.103821D+02 -0.182280D+01  0.757198D+01 -0.135485D+01
      2   0.103821D+02  0.364402D+01 -0.830078D+00 -0.135485D+01  0.169528D+01
      3  -0.182280D+01 -0.830078D+00  0.103815D+00  0.621555D+00 -0.373023D-01
               276           277           278           279           280 
      1   0.621555D+00 -0.202758D+01  0.423838D+00  0.197854D+01 -0.355561D+01
      2  -0.373023D-01  0.423838D+00  0.390691D+00  0.111917D+01 -0.105350D+01
      3   0.117988D+00  0.197854D+01  0.111917D+01 -0.284885D+00 -0.146536D+01
               281           282           283           284           285 
      1  -0.105350D+01 -0.146536D+01  0.286040D+00 -0.397199D+00  0.752245D-01
      2  -0.444719D+01  0.102931D+01 -0.397199D+00  0.170349D+01 -0.128950D+01
      3   0.102931D+01 -0.138406D+01  0.752245D-01 -0.128950D+01  0.124558D+00
               286           287           288           289           290 
      1  -0.181082D+01 -0.271483D+00 -0.171903D+01  0.292051D+01  0.219425D+01
      2  -0.271483D+00 -0.240423D+01  0.122412D+01  0.219425D+01  0.193439D+01
      3  -0.171903D+01  0.122412D+01 -0.346690D+01 -0.536532D+00 -0.384841D+00
               291           292           293           294           295 
      1  -0.536532D+00  0.134001D+01  0.278857D+01 -0.359332D+00 -0.358481D+00
      2  -0.384841D+00  0.278857D+01  0.602162D+01 -0.990305D+00 -0.425424D+00
      3   0.660024D+00 -0.359332D+00 -0.990305D+00  0.580290D+00  0.868193D+00
               296           297           298           299           300 
      1  -0.425424D+00  0.868193D+00 -0.292247D+01 -0.218499D+01 -0.541449D+00
      2  -0.695280D+00  0.148932D+01 -0.218499D+01 -0.193509D+01 -0.383235D+00
      3   0.148932D+01 -0.898963D+00 -0.541449D+00 -0.383235D+00 -0.655393D+00
               301           302           303           304           305 
      1  -0.132477D+01 -0.280391D+01 -0.369452D+00 -0.355523D+00 -0.432570D+00
      2  -0.280391D+01 -0.599980D+01 -0.982742D+00 -0.432570D+00 -0.695410D+00
      3  -0.369452D+00 -0.982742D+00 -0.573680D+00 -0.869554D+00 -0.148789D+01
               306           307           308           309           310 
      1  -0.869554D+00  0.356829D+01  0.103899D+01 -0.145632D+01 -0.293559D+00
      2  -0.148789D+01  0.103899D+01  0.445721D+01  0.102376D+01  0.406723D+00
      3  -0.896500D+00 -0.145632D+01  0.102376D+01  0.138214D+01  0.718385D-01
               311           312           313           314           315 
      1   0.406723D+00  0.718385D-01 -0.180669D+01 -0.268966D+00  0.171213D+01
      2  -0.172602D+01 -0.129406D+01 -0.268966D+00 -0.240110D+01 -0.122481D+01
      3  -0.129406D+01 -0.134162D+00  0.171213D+01 -0.122481D+01 -0.346683D+01
               316           317           318           319           320 
      1  -0.473111D+01 -0.347317D+01 -0.140594D+01 -0.414379D+01 -0.454516D+01
      2  -0.347317D+01 -0.438378D+01 -0.936216D+00 -0.454516D+01 -0.637187D+01
      3  -0.140594D+01 -0.936216D+00 -0.107598D+01 -0.136792D+01 -0.204728D+01
               321           322           323           324           325 
      1  -0.136792D+01  0.253182D+00  0.157370D+00 -0.532414D+00  0.233449D+01
      2  -0.204728D+01  0.157370D+00 -0.110525D+01 -0.112909D+01 -0.135502D+01
      3  -0.162305D+01 -0.532414D+00 -0.112909D+01 -0.671254D+00 -0.202255D+01
               326           327           328           329           330 
      1  -0.135502D+01 -0.202255D+01 -0.629357D+00  0.164056D+00  0.407070D+00
      2   0.967708D+00  0.135089D+01  0.164056D+00 -0.147501D+01 -0.148473D+01
      3   0.135089D+01  0.359320D+01  0.407070D+00 -0.148473D+01 -0.119113D+01
               331           332           333           334           335 
      1  -0.110863D+01  0.639198D+00  0.181922D+01 -0.129038D+02 -0.447771D+00
      2   0.639198D+00 -0.137563D+01 -0.189001D+01 -0.447771D+00 -0.874254D+00
      3   0.181922D+01 -0.189001D+01 -0.500211D+01 -0.358641D+01 -0.101181D+00
               336           337           338           339           340 
      1  -0.358641D+01 -0.300991D+00 -0.107420D+01  0.164715D-01 -0.201634D+01
      2  -0.101181D+00 -0.107420D+01  0.336892D+00 -0.535252D+00  0.931838D-02
      3  -0.220880D+01  0.164715D-01 -0.535252D+00  0.155653D+00 -0.180472D+01
               341           342           343           344           345 
      1   0.931838D-02 -0.180472D+01 -0.435899D+00  0.424306D+00 -0.100781D+01
      2   0.286169D+00  0.101530D+00  0.424306D+00  0.694235D+00 -0.645343D+00
      3   0.101530D+00 -0.115290D+01 -0.100781D+01 -0.645343D+00  0.193336D+01
               346           347           348           349           350 
      1   0.623659D+00  0.157055D+00  0.229087D+00 -0.858407D+00  0.216660D+00
      2   0.157055D+00  0.179308D+01 -0.187104D+01  0.216660D+00 -0.170201D+01
      3   0.229087D+00 -0.187104D+01  0.309736D+01 -0.102072D+00  0.240786D+01
               351           352           353           354           355 
      1  -0.102072D+00 -0.393768D+01  0.298115D+01  0.393300D+00  0.356674D+01
      2   0.240786D+01  0.298115D+01 -0.166101D+01 -0.383560D+00 -0.260303D+01
      3  -0.632218D+01  0.393300D+00 -0.383560D+00 -0.950903D+00 -0.395647D+00
               356           357           358           359           360 
      1  -0.260303D+01 -0.395647D+00  0.543211D+00 -0.664931D+00 -0.142301D+01
      2   0.578907D+01  0.463778D+00 -0.664931D+00  0.290941D+00  0.884609D+00
      3   0.463778D+00  0.588442D+00 -0.142301D+01  0.884609D+00  0.497977D+00
               361           362           363           364           365 
      1   0.625151D+01  0.239421D+01  0.388171D+00  0.210668D+01  0.105373D+01
      2   0.239421D+01  0.136287D+01 -0.301259D+00  0.105373D+01  0.799496D+00
      3   0.388171D+00 -0.301259D+00  0.235058D+01 -0.539357D-01  0.672818D+00
               366           367           368           369           370 
      1  -0.539357D-01 -0.222162D+00 -0.287799D+00  0.129434D+01 -0.197088D+00
      2   0.672818D+00 -0.287799D+00  0.383480D+00  0.569501D+00 -0.314675D+00
      3   0.825189D+00  0.129434D+01  0.569501D+00 -0.251759D-01  0.102609D+01
               371           372           373           374           375 
      1  -0.314675D+00  0.102609D+01 -0.739399D+00 -0.726622D+00  0.561214D+00
      2  -0.119900D+00 -0.146921D+00 -0.726622D+00 -0.362284D+01  0.301221D+01
      3  -0.146921D+00 -0.498605D+00  0.561214D+00  0.301221D+01 -0.442543D+01
               376           377           378           379           380 
      1   0.105156D+01  0.295894D+00 -0.101933D+01 -0.328400D+01  0.190828D+01
      2   0.295894D+00  0.218635D+01 -0.271688D+01  0.190828D+01 -0.162218D+01
      3  -0.101933D+01 -0.271688D+01  0.517165D+01  0.246650D+01 -0.136250D+01
               381           382           383           384           385 
      1   0.246650D+01  0.271293D+01 -0.197557D+01 -0.191683D+01  0.149932D+01
      2  -0.136250D+01 -0.197557D+01  0.265010D+01  0.247754D+01 -0.891513D+00
      3  -0.299745D+01 -0.191683D+01  0.247754D+01  0.275854D+01 -0.209850D+01
               386           387           388           389           390 
      1  -0.891513D+00 -0.209850D+01 -0.281457D+01 -0.726955D+00 -0.161264D+01
      2   0.148301D+01  0.127547D+01 -0.726955D+00 -0.844023D+00 -0.777027D+00
      3   0.127547D+01  0.314662D+01 -0.161264D+01 -0.777027D+00 -0.146766D+01
               391           392           393           394           395 
      1  -0.827628D+00 -0.130188D+01 -0.837378D+00 -0.327755D+01 -0.129496D+01
      2  -0.130188D+01 -0.144105D+01 -0.606467D+00 -0.129496D+01 -0.100275D+01
      3  -0.837378D+00 -0.606467D+00 -0.124342D+01 -0.172845D+01 -0.123569D+01
               396           397           398           399           400 
      1  -0.172845D+01 -0.694067D+01  0.221186D+01  0.212776D+01  0.586728D+01
      2  -0.123569D+01  0.221186D+01 -0.135136D+01 -0.633397D+00 -0.216553D+01
      3  -0.385909D+01  0.212776D+01 -0.633397D+00 -0.157249D+01 -0.185995D+01
               401           402           403           404           405 
      1  -0.216553D+01 -0.185995D+01  0.287958D+01 -0.678651D+00 -0.230107D+01
      2   0.183152D+01  0.116506D+01 -0.678651D+00  0.976554D+00  0.323364D+00
      3   0.116506D+01  0.121267D+01 -0.230107D+01  0.323364D+00  0.151842D+01
               406           407           408           409           410 
      1  -0.107720D+01 -0.585641D+00  0.977094D+00 -0.207132D+01 -0.245522D+01
      2  -0.585641D+00 -0.461858D+00  0.179399D+00 -0.245522D+01 -0.480300D+01
      3   0.977094D+00  0.179399D+00 -0.527125D+00  0.124917D+01  0.283456D+01
               411           412           413           414           415 
      1   0.124917D+01  0.253925D+01  0.132710D+01 -0.198037D+01  0.320153D+01
      2   0.283456D+01  0.132710D+01  0.291782D+01 -0.262937D+01 -0.248009D+01
      3  -0.258772D+01 -0.198037D+01 -0.262937D+01  0.314812D+01 -0.113913D+01
               416           417           418           419           420 
      1  -0.248009D+01 -0.113913D+01 -0.184792D+01  0.165495D+01  0.651988D+00
      2   0.292507D+01  0.795041D+00  0.165495D+01 -0.374587D+01 -0.131479D+01
      3   0.795041D+00  0.149318D+01  0.651988D+00 -0.131479D+01 -0.716113D+00
               421           422           423           424           425 
      1  -0.179303D+01  0.111238D+01  0.146057D+01 -0.474232D+01 -0.392548D+01
      2   0.111238D+01 -0.284348D+01 -0.131522D+01 -0.392548D+01 -0.496848D+01
      3   0.146057D+01 -0.131522D+01 -0.137980D+01  0.421139D+00  0.814932D+00
               426           427           428           429           430 
      1   0.421139D+00 -0.295148D+01 -0.326351D+01  0.542099D+00 -0.174093D-01
      2   0.814932D+00 -0.326351D+01 -0.586908D+01  0.463378D+00  0.375247D+00
      3  -0.665943D+00  0.542099D+00  0.463378D+00 -0.737976D+00 -0.492214D+00
               431           432           433           434           435 
      1   0.375247D+00 -0.492214D+00  0.127950D+01 -0.805137D+00  0.126457D+01
      2  -0.108934D+00 -0.101319D+01 -0.805137D+00  0.995598D+00 -0.498252D+00
      3  -0.101319D+01  0.653139D+00  0.126457D+01 -0.498252D+00  0.213176D+01
               436           437           438           439           440 
      1   0.467050D-01  0.473987D+00  0.519852D-01  0.122677D+01 -0.499002D+00
      2   0.473987D+00  0.505254D-01  0.833027D+00 -0.499002D+00  0.203143D+01
      3   0.519852D-01  0.833027D+00 -0.249436D+00  0.164314D+01 -0.188072D+01
               441           442           443           444           445 
      1   0.164314D+01  0.182784D+00  0.309503D+00  0.102088D+01  0.721403D+00
      2  -0.188072D+01  0.309503D+00  0.105930D+00 -0.155128D+00  0.726004D+00
      3   0.628349D+01  0.102088D+01 -0.155128D+00  0.486738D+00  0.555407D+00
               446           447           448           449           450 
      1   0.726004D+00  0.555407D+00  0.104096D+01  0.298856D+00  0.101662D+01
      2   0.361442D+01  0.300612D+01  0.298856D+00  0.217217D+01  0.270659D+01
      3   0.300612D+01  0.442572D+01  0.101662D+01  0.270659D+01  0.516728D+01
               451           452           453           454           455 
      1  -0.625031D+01 -0.240048D+01  0.386400D+00 -0.210489D+01 -0.106386D+01
      2  -0.240048D+01 -0.136080D+01 -0.303788D+00 -0.106386D+01 -0.796112D+00
      3   0.386400D+00 -0.303788D+00 -0.234489D+01 -0.506285D-01  0.669433D+00
               456           457           458           459           460 
      1  -0.506285D-01 -0.233793D+00 -0.280007D+00 -0.130131D+01  0.329066D+01
      2   0.669433D+00 -0.280007D+00  0.375846D+00 -0.568944D+00 -0.193208D+01
      3  -0.824062D+00 -0.130131D+01 -0.568944D+00 -0.344947D-01  0.246651D+01
               461           462           463           464           465 
      1  -0.193208D+01  0.246651D+01 -0.269578D+01  0.196257D+01 -0.191794D+01
      2   0.163993D+01 -0.135648D+01  0.196257D+01 -0.264186D+01  0.247471D+01
      3  -0.135648D+01  0.300642D+01 -0.191794D+01  0.247471D+01 -0.277166D+01
               466           467           468           469           470 
      1   0.150996D+01 -0.884816D+00  0.211347D+01  0.107548D+01  0.604477D+00
      2  -0.884816D+00  0.148159D+01 -0.128201D+01  0.604477D+00  0.447508D+00
      3   0.211347D+01 -0.128201D+01  0.316850D+01  0.979908D+00  0.177842D+00
               471           472           473           474           475 
      1   0.979908D+00  0.207731D+01  0.246297D+01  0.124882D+01  0.253610D+01
      2   0.177842D+00  0.246297D+01  0.479304D+01  0.283493D+01  0.132195D+01
      3   0.527105D+00  0.124882D+01  0.283493D+01  0.258581D+01  0.197930D+01
               476           477           478           479           480 
      1   0.132195D+01  0.197930D+01  0.692618D+01 -0.220285D+01  0.215098D+01
      2   0.291270D+01  0.263122D+01 -0.220285D+01  0.134202D+01 -0.646311D+00
      3   0.263122D+01  0.314510D+01  0.215098D+01 -0.646311D+00  0.158289D+01
               481           482           483           484           485 
      1  -0.588108D+01  0.217734D+01 -0.186283D+01  0.289795D+01 -0.679842D+00
      2   0.217734D+01 -0.184583D+01  0.116601D+01 -0.679842D+00  0.985871D+00
      3  -0.186283D+01  0.116601D+01 -0.122739D+01  0.230887D+01 -0.331926D+00
               486           487           488           489           490 
      1   0.230887D+01  0.282531D+01  0.744498D+00 -0.163235D+01  0.823175D+00
      2  -0.331926D+00  0.744498D+00  0.830737D+00 -0.774374D+00  0.130693D+01
      3   0.152954D+01 -0.163235D+01 -0.774374D+00  0.145724D+01 -0.844276D+00
               491           492           493           494           495 
      1   0.130693D+01 -0.844276D+00 -0.328511D+01 -0.130954D+01  0.172861D+01
      2   0.143955D+01 -0.606364D+00 -0.130954D+01 -0.988765D+00  0.123160D+01
      3  -0.606364D+00  0.123753D+01  0.172861D+01  0.123160D+01 -0.384819D+01
               496           497           498           499           500 
      1   0.129164D+02  0.436001D+00 -0.356967D+01  0.295673D+00  0.107139D+01
      2   0.436001D+00  0.885629D+00 -0.938594D-01  0.107139D+01 -0.330714D+00
      3  -0.356967D+01 -0.938594D-01  0.219495D+01  0.128816D-01 -0.528336D+00
               501           502           503           504           505 
      1   0.128816D-01 -0.199846D+01 -0.831962D-02  0.177615D+01  0.433455D+00
      2  -0.528336D+00 -0.831962D-02  0.286170D+00 -0.915408D-01 -0.424988D+00
      3  -0.153069D+00  0.177615D+01 -0.915408D-01 -0.113158D+01 -0.999744D+00
               506           507           508           509           510 
      1  -0.424988D+00 -0.999744D+00 -0.628807D+00 -0.160530D+00  0.245835D+00
      2  -0.695485D+00 -0.647585D+00 -0.160530D+00 -0.179479D+01 -0.188125D+01
      3  -0.647585D+00 -0.192553D+01  0.245835D+00 -0.188125D+01 -0.309836D+01
               511           512           513           514           515 
      1  -0.867170D+00  0.230735D+00  0.991793D-01 -0.232193D+01  0.135320D+01
      2   0.230735D+00 -0.171075D+01 -0.240594D+01  0.135320D+01 -0.968322D+00
      3   0.991793D-01 -0.240594D+01 -0.633393D+01 -0.201695D+01  0.134841D+01
               516           517           518           519           520 
      1  -0.201695D+01  0.626242D+00 -0.164900D+00  0.399197D+00 -0.110995D+01
      2   0.134841D+01 -0.164900D+00  0.148014D+01 -0.148701D+01  0.653120D+00
      3  -0.359677D+01  0.399197D+00 -0.148701D+01  0.119431D+01 -0.180871D+01
               521           522           523           524           525 
      1   0.653120D+00 -0.180871D+01  0.474023D+01  0.347650D+01 -0.141042D+01
      2  -0.139036D+01  0.189303D+01  0.347650D+01  0.438809D+01 -0.934936D+00
      3   0.189303D+01 -0.501295D+01 -0.141042D+01 -0.934936D+00  0.108007D+01
               526           527           528           529           530 
      1   0.415249D+01  0.453658D+01 -0.137206D+01  0.239406D+00  0.183278D+00
      2   0.453658D+01  0.637354D+01 -0.203714D+01  0.183278D+00 -0.112299D+01
      3  -0.137206D+01 -0.203714D+01  0.162527D+01  0.535576D+00  0.112285D+01
               531           532           533           534           535 
      1   0.535576D+00  0.394014D+01 -0.298257D+01  0.396245D+00 -0.355632D+01
      2   0.112285D+01 -0.298257D+01  0.166044D+01 -0.385812D+00  0.258335D+01
      3  -0.675771D+00  0.396245D+00 -0.385812D+00  0.949666D+00 -0.399011D+00
               536           537           538           539           540 
      1   0.258335D+01 -0.399011D+00  0.609821D+00 -0.726722D+00  0.140870D+01
      2  -0.576976D+01  0.462907D+00 -0.726722D+00  0.349744D+00 -0.871791D+00
      3   0.462907D+00 -0.587558D+00  0.140870D+01 -0.871791D+00  0.507342D+00
               541           542           543           544           545 
      1   0.473124D+01  0.392285D+01  0.423605D+00  0.296865D+01  0.326377D+01
      2   0.392285D+01  0.497189D+01  0.815442D+00  0.326377D+01  0.587893D+01
      3   0.423605D+00  0.815442D+00  0.661474D+00  0.540353D+00  0.473634D+00
               546           547           548           549           550 
      1   0.540353D+00 -0.142720D-01  0.373681D+00  0.498141D+00 -0.317964D+01
      2   0.473634D+00  0.373681D+00 -0.990544D-01  0.101115D+01  0.247807D+01
      3   0.740373D+00  0.498141D+00  0.101115D+01  0.653325D+00 -0.114508D+01
               551           552           553           554           555 
      1   0.247807D+01 -0.114508D+01  0.184850D+01 -0.165469D+01  0.653913D+00
      2  -0.292441D+01  0.803703D+00 -0.165469D+01  0.376362D+01 -0.131949D+01
      3   0.803703D+00 -0.149754D+01  0.653913D+00 -0.131949D+01  0.730130D+00
               556           557           558           559           560 
      1  -0.178373D+01  0.111917D+01 -0.146185D+01 -0.127521D+01  0.807165D+00
      2   0.111917D+01 -0.285161D+01  0.132193D+01  0.807165D+00 -0.996133D+00
      3  -0.146185D+01  0.132193D+01 -0.138876D+01  0.127047D+01 -0.506147D+00
               561           562           563           564           565 
      1   0.127047D+01 -0.531424D-01 -0.475632D+00  0.471786D-01  0.122379D+01
      2  -0.506147D+00 -0.475632D+00 -0.496050D-01  0.840801D+00 -0.501314D+00
      3  -0.213956D+01  0.471786D-01  0.840801D+00  0.258661D+00 -0.164890D+01
               566           567 
      1  -0.501314D+00 -0.164890D+01
      2   0.203195D+01  0.188312D+01
      3   0.188312D+01  0.627795D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.787500D+00 -0.788548D+01 -0.121721D+01 -0.441822D+01  0.132397D+01
      2  -0.873297D+01  0.171674D+01  0.181453D+02 -0.428988D+01  0.535138D+01
      3   0.588297D+01 -0.806099D+01 -0.337125D+01 -0.123763D+02  0.932004D+00
                 6             7             8             9            10 
      1  -0.357722D+01  0.122066D+01  0.626551D+01 -0.862955D+01  0.127153D+01
      2   0.216823D+02  0.126265D+02  0.223800D+02  0.607371D+01 -0.831977D+00
      3  -0.275324D+01  0.616953D+01  0.961856D+01 -0.229529D+02 -0.325963D+01
                11            12            13            14            15 
      1   0.650812D+01  0.115627D+01  0.128858D+01  0.536126D+00 -0.510735D+01
      2   0.337304D+01 -0.720962D+01  0.514554D+01 -0.116360D+02 -0.227565D+02
      3   0.184470D+02 -0.642372D+01  0.362019D+02  0.425485D+01  0.110774D+02
                16            17            18            19            20 
      1   0.417472D+01  0.623076D+01  0.394999D+01 -0.101828D+01 -0.725338D+01
      2  -0.242432D+02 -0.188962D+02  0.628870D+00  0.370500D+01  0.437895D+01
      3  -0.105516D+02 -0.625057D+01  0.186481D+02 -0.318500D+02 -0.578393D+02
                21            22            23            24            25 
      1   0.980174D-01 -0.518786D-01 -0.256178D+01 -0.632105D+00  0.750962D+01
      2   0.600691D+01 -0.892757D+01  0.784845D+01  0.767520D+01  0.517097D+01
      3  -0.489383D+01  0.289820D+02 -0.696622D+02 -0.891473D+01  0.664580D+01
                26            27            28            29            30 
      1   0.300246D+01  0.145577D+01 -0.327168D+01 -0.389208D+01  0.270496D+01
      2   0.302502D+01  0.368722D+01 -0.108882D+02  0.887605D+00 -0.106188D+02
      3  -0.798616D+01 -0.128911D+02  0.429580D+02 -0.489354D+02 -0.562720D+01
                31            32            33            34            35 
      1   0.486729D+01 -0.570713D+01  0.579471D+01  0.274805D+01  0.578479D+01
      2   0.588955D+01 -0.293354D+01 -0.320289D+01 -0.103496D+02  0.682031D+01
      3  -0.573722D+02 -0.178406D+02 -0.266124D+01  0.785644D+00 -0.109513D+02
                36            37            38            39            40 
      1   0.374550D+00  0.474051D+01 -0.322068D+01  0.351338D+01 -0.714621D+01
      2   0.939329D+00 -0.576235D+01  0.108818D+02 -0.618278D+01  0.110730D+02
      3  -0.127483D+02 -0.110082D+02 -0.140505D+01 -0.112087D+02  0.182391D+02
                41            42            43            44            45 
      1   0.504987D+01 -0.111613D+02  0.123068D+02  0.151466D+02 -0.537747D+01
      2  -0.332542D+01  0.100450D+02 -0.325247D+02 -0.817964D+01  0.749150D+01
      3   0.113753D+02  0.143546D+02 -0.181283D+02  0.110484D+02 -0.565042D+01
                46            47            48            49            50 
      1  -0.163418D+01  0.419845D+01 -0.891496D+01  0.600380D+01 -0.826306D+01
      2   0.774770D+01 -0.759237D+01  0.214471D+02 -0.433234D-01  0.373524D+01
      3   0.178170D+02  0.305571D+01  0.701430D+01  0.140706D+02 -0.135655D+02
                51            52            53            54            55 
      1  -0.324817D+01 -0.137013D+02  0.207999D+01  0.668221D+01 -0.662958D+01
      2  -0.505287D+01  0.211430D+02 -0.228642D+01  0.416028D+00  0.149941D+02
      3  -0.101955D+02  0.742688D+01 -0.452419D+01  0.157507D+02  0.276356D+02
                56            57            58            59            60 
      1   0.640985D+01 -0.605082D+01  0.708600D+01 -0.593534D+00 -0.396330D+00
      2  -0.338888D+01  0.231145D+02 -0.658791D+01  0.163091D+02  0.169284D+02
      3  -0.969272D+01  0.116075D+02 -0.177397D+02 -0.121518D+02 -0.224196D+02
                61            62            63            64            65 
      1  -0.683768D+01  0.589450D+01  0.429182D+01  0.282958D+01  0.571774D+01
      2   0.168016D+02  0.137566D+02 -0.104822D+02  0.143479D+02 -0.257569D+01
      3   0.114465D+02 -0.198280D+02 -0.961132D+01 -0.672171D+02  0.331806D+02
                66            67            68            69            70 
      1   0.101414D+01 -0.174788D+01  0.701039D+00 -0.450305D+01  0.101168D+01
      2   0.120643D+02  0.421508D+01  0.176993D+01  0.389496D+01  0.456883D+01
      3   0.854444D+01 -0.242632D+02 -0.264238D+02 -0.185771D+01 -0.776616D+01
                71            72            73            74            75 
      1  -0.484202D+01 -0.110229D+01  0.174971D-01  0.350560D-01  0.185854D+01
      2   0.330865D+01  0.136259D+01 -0.143938D+00 -0.103105D+00 -0.166429D+02
      3   0.264395D+01 -0.302223D+01  0.161436D+02  0.338593D+02  0.135483D-01
                76            77            78            79            80 
      1   0.347128D-01 -0.633216D-01  0.208955D+01  0.247454D+01  0.189206D+02
      2  -0.466083D-01 -0.785408D-01  0.271075D+00 -0.765335D+02  0.241074D+01
      3   0.177764D+03 -0.158260D+02 -0.390700D-01 -0.316625D-01 -0.748564D-01
                81            82            83            84            85 
      1  -0.412792D-02  0.596741D+01  0.323775D+00 -0.186568D+01  0.270819D+01
      2   0.519036D-02 -0.172972D+02 -0.593709D+01  0.117029D+02  0.775179D+01
      3   0.998853D+00  0.114749D+03  0.175270D+02  0.659294D+01 -0.365592D+02
                86            87            88            89            90 
      1   0.157280D+01 -0.317915D+01 -0.106802D+02 -0.610864D+01 -0.905366D+00
      2   0.799553D+00 -0.173238D+01 -0.400937D+01 -0.395083D+01 -0.138626D+01
      3   0.131184D+02 -0.252406D+00 -0.110270D+02 -0.346806D+01  0.562132D+01
                91            92            93            94            95 
      1  -0.441214D+01  0.105156D+01 -0.103675D+01 -0.230347D+01  0.720582D+01
      2   0.119380D+02  0.322373D+01 -0.112841D+02 -0.633844D+01 -0.116590D+02
      3  -0.981790D+02  0.536499D+01 -0.247907D+01  0.753048D+02  0.143172D+03
                96            97            98            99           100 
      1  -0.135491D+01 -0.380547D+01  0.123135D+02  0.183112D+01  0.187135D+01
      2  -0.999778D+01 -0.256785D+02 -0.233067D+02 -0.714226D+01 -0.895289D+00
      3   0.179681D+02  0.138951D+02  0.217779D+02  0.240158D+02  0.173993D+02
               101           102           103           104           105 
      1   0.247084D+01 -0.355887D+01 -0.130122D+01 -0.439953D+01  0.330878D-02
      2  -0.906126D+00 -0.271092D+01  0.768102D+01  0.491347D+01 -0.161224D+01
      3   0.141696D+02  0.783462D-01 -0.456170D+02 -0.418864D+02 -0.703388D+01
               106           107           108           109           110 
      1   0.376694D+01  0.139599D+02  0.546913D+00  0.651250D+01 -0.115240D+01
      2  -0.772155D+01  0.516062D+01 -0.186971D+01  0.474634D+01 -0.242501D+00
      3  -0.971002D+01 -0.143139D+01  0.319620D+00 -0.124532D+02 -0.182222D+02
               111           112           113           114           115 
      1   0.390495D+01 -0.342404D+01  0.502317D+01 -0.461721D+01  0.501504D+01
      2   0.503666D+01 -0.179592D+01  0.289034D+01 -0.277034D+01  0.324624D+01
      3  -0.556869D+01  0.845713D+01  0.155414D+02 -0.231059D+01 -0.650655D+01
               116           117           118           119           120 
      1  -0.519968D+01  0.134108D+02 -0.473025D+01  0.642355D+01 -0.122452D+02
      2  -0.401120D+01  0.129342D+02  0.132136D+01 -0.530425D+00  0.119396D+02
      3  -0.149421D+02 -0.314876D+00  0.121504D+02 -0.201939D+02  0.666639D+01
               121           122           123           124           125 
      1   0.393966D+01 -0.863715D+01  0.488841D+00 -0.120037D+02  0.101566D+02
      2  -0.206781D+01  0.672859D+01 -0.132398D+00  0.705587D+01 -0.127371D+00
      3  -0.815739D+01 -0.710932D+01 -0.134575D+02  0.994668D+01 -0.142488D+02
               126           127           128           129           130 
      1   0.153831D+02  0.562594D+01 -0.509040D+01  0.653528D+01 -0.913343D+01
      2  -0.137708D+02 -0.437469D+01  0.705503D+01 -0.149880D+02  0.735005D+01
      3   0.159506D+02 -0.297322D+02  0.879299D+01 -0.132151D+02  0.332660D+02
               131           132           133           134           135 
      1   0.213681D+01 -0.221989D+01  0.966877D+01  0.444511D+01 -0.649888D+01
      2  -0.176548D+02 -0.208231D+02 -0.288232D+02 -0.247146D+02  0.142926D+02
      3   0.123620D+02  0.260109D+02 -0.962597D+01  0.229316D+02  0.157139D+02
               136           137           138           139           140 
      1   0.148902D+02 -0.285573D+01  0.734385D+01 -0.680731D+01  0.107518D+00
      2  -0.201562D+02 -0.507532D+01 -0.338102D+01 -0.631106D+01 -0.171967D+02
      3  -0.190212D+02  0.129666D+01 -0.877826D+01  0.125598D+02  0.517800D+01
               141           142           143           144           145 
      1  -0.174020D+02  0.455585D+01 -0.733941D+01 -0.818032D+01 -0.280052D+01
      2  -0.158018D+02 -0.914288D+01 -0.128104D+02  0.132282D+02 -0.143239D+02
      3   0.193661D+02 -0.532278D+01  0.148630D+02  0.891937D+01 -0.672518D+02
               146           147           148           149           150 
      1  -0.568634D+01  0.101991D+01  0.173190D+01 -0.743048D+00 -0.449401D+01
      2   0.263886D+01  0.120357D+02 -0.423759D+01 -0.181482D+01  0.390833D+01
      3   0.331312D+02 -0.861316D+01 -0.243079D+02 -0.264244D+02  0.186320D+01
               151           152           153           154           155 
      1   0.102018D+01 -0.485086D+01  0.109184D+01  0.324248D+01  0.387487D+01
      2   0.461916D+01  0.331621D+01 -0.137183D+01  0.109832D+02 -0.888824D+00
      3   0.779873D+01 -0.255998D+01 -0.302263D+01  0.430620D+02 -0.490036D+02
               156           157           158           159           160 
      1   0.278460D+01 -0.485167D+01  0.577690D+01  0.579973D+01  0.276305D+01
      2  -0.106176D+02 -0.585238D+01  0.295099D+01 -0.320496D+01 -0.102800D+02
      3   0.568359D+01 -0.573876D+02 -0.178459D+02  0.269362D+01 -0.636570D+00
               161           162           163           164           165 
      1   0.575695D+01 -0.369278D+00 -0.484681D+01  0.323060D+01  0.349507D+01
      2   0.681571D+01 -0.992282D+00  0.576809D+01 -0.108429D+02 -0.615019D+01
      3   0.109027D+02 -0.127427D+02 -0.111022D+02 -0.137753D+01  0.112424D+02
               166           167           168           169           170 
      1   0.711609D+01 -0.507123D+01 -0.111399D+02  0.122511D+02  0.151396D+02
      2  -0.109838D+02  0.339119D+01  0.100027D+02 -0.324780D+02 -0.819714D+01
      3   0.181661D+02  0.113759D+02 -0.143614D+02  0.182122D+02 -0.110384D+02
               171           172           173           174           175 
      1   0.541015D+01  0.665471D+01 -0.645273D+01 -0.603271D+01 -0.705526D+01
      2  -0.751377D+01 -0.150992D+02  0.340454D+01  0.230310D+02  0.643200D+01
      3  -0.557018D+01  0.276983D+02 -0.959259D+01 -0.116438D+02 -0.176391D+02
               176           177           178           179           180 
      1   0.616960D+00 -0.427592D+00 -0.686134D+01  0.588270D+01 -0.432733D+01
      2  -0.164322D+02  0.169830D+02  0.167804D+02  0.137405D+02  0.105669D+02
      3  -0.122796D+02  0.224414D+02 -0.113476D+02  0.197741D+02 -0.966048D+01
               181           182           183           184           185 
      1  -0.128057D+01 -0.651229D+01  0.114795D+01 -0.135420D+01 -0.561464D+00
      2   0.982293D+00 -0.336440D+01 -0.716739D+01 -0.514268D+01  0.116575D+02
      3  -0.330568D+01  0.184959D+02  0.640154D+01  0.363045D+02  0.423814D+01
               186           187           188           189           190 
      1  -0.512359D+01  0.422018D+01  0.625356D+01 -0.395545D+01  0.102097D+01
      2  -0.227318D+02 -0.242859D+02 -0.188732D+02 -0.653019D+00 -0.365259D+01
      3  -0.110241D+02  0.102577D+02  0.652119D+01  0.186313D+02 -0.320510D+02
               191           192           193           194           195 
      1   0.729795D+01  0.101853D+00  0.753547D-01  0.260256D+01 -0.626119D+00
      2  -0.434554D+01  0.596440D+01  0.894928D+01 -0.787995D+01  0.764826D+01
      3  -0.576519D+02  0.489221D+01  0.288360D+02 -0.695451D+02  0.890812D+01
               196           197           198           199           200 
      1   0.749313D+01  0.303821D+01 -0.145956D+01  0.786643D+00  0.789833D+01
      2   0.524532D+01  0.300008D+01 -0.369911D+01  0.853893D+01 -0.178670D+01
      3  -0.668361D+01  0.797616D+01 -0.128966D+02  0.586478D+01 -0.793108D+01
               201           202           203           204           205 
      1  -0.128403D+01  0.434778D+01 -0.131161D+01 -0.357081D+01  0.124194D+01
      2   0.181791D+02  0.431282D+01 -0.521882D+01  0.217130D+02  0.124819D+02
      3   0.344180D+01 -0.123699D+02  0.927586D+00  0.266052D+01 -0.622143D+01
               206           207           208           209           210 
      1   0.630137D+01  0.864217D+01  0.165927D+01 -0.418844D+01 -0.887513D+01
      2   0.223069D+02 -0.603213D+01 -0.771296D+01  0.757068D+01  0.214058D+02
      3  -0.947978D+01 -0.229000D+02  0.177495D+02  0.320574D+01 -0.703578D+01
               211           212           213           214           215 
      1  -0.597870D+01  0.826586D+01 -0.323882D+01 -0.136542D+02  0.207190D+01
      2   0.313221D-01 -0.364534D+01 -0.502554D+01  0.211338D+02 -0.225862D+01
      3   0.140317D+02 -0.135637D+02  0.101719D+02 -0.765071D+01  0.461125D+01
               216           217           218           219           220 
      1  -0.672166D+01 -0.148969D+02  0.288504D+01  0.727327D+01  0.683245D+01
      2  -0.375212D+00  0.202232D+02  0.520814D+01 -0.332398D+01  0.640711D+01
      3   0.157142D+02 -0.192281D+02  0.142517D+01  0.873948D+01  0.125534D+02
               221           222           223           224           225 
      1  -0.159994D+00 -0.173956D+02  0.458592D+01 -0.733389D+01  0.822605D+01
      2   0.172182D+02 -0.157649D+02 -0.908783D+01 -0.128760D+02 -0.132370D+02
      3   0.511065D+01 -0.193823D+02  0.517722D+01 -0.149235D+02  0.896899D+01
               226           227           228           229           230 
      1  -0.558335D+01  0.511795D+01  0.647242D+01  0.915536D+01 -0.211635D+01
      2   0.446431D+01 -0.708874D+01 -0.149345D+02 -0.729404D+01  0.175381D+02
      3  -0.296217D+02  0.865668D+01  0.132256D+02  0.334086D+02  0.123191D+02
               231           232           233           234           235 
      1  -0.217136D+01  0.960507D+01  0.449743D+01  0.654895D+01  0.472798D+01
      2  -0.209544D+02 -0.287503D+02 -0.247590D+02 -0.143986D+02 -0.129339D+01
      3  -0.259074D+02  0.955706D+01 -0.228775D+02  0.157972D+02  0.122579D+02
               236           237           238           239           240 
      1  -0.642366D+01 -0.122316D+02 -0.387163D+01  0.862827D+01  0.466487D+00
      2   0.554358D+00  0.119139D+02  0.202378D+01 -0.679629D+01 -0.139092D+00
      3  -0.202581D+02 -0.671422D+01 -0.832431D+01 -0.695487D+01  0.134560D+02
               241           242           243           244           245 
      1  -0.120157D+02  0.100901D+02 -0.154450D+02  0.443619D+01 -0.106296D+01
      2   0.700163D+01 -0.512663D-01  0.138111D+02 -0.119926D+02 -0.323952D+01
      3  -0.989334D+01  0.141646D+02  0.158875D+02 -0.981482D+02  0.520206D+01
               246           247           248           249           250 
      1  -0.103749D+01  0.237581D+01 -0.716661D+01 -0.138351D+01 -0.379650D+01
      2  -0.113149D+02  0.621485D+01  0.116652D+02 -0.100510D+02 -0.256261D+02
      3   0.246498D+01  0.752568D+02  0.143335D+03 -0.180264D+02 -0.138963D+02
               251           252           253           254           255 
      1   0.122997D+02 -0.182434D+01 -0.185395D+01 -0.250233D+01 -0.355992D+01
      2  -0.232430D+02  0.713391D+01  0.914317D+00  0.882139D+00 -0.270307D+01
      3  -0.218055D+02  0.240160D+02  0.173916D+02  0.142247D+02 -0.818071D-01
               256           257           258           259           260 
      1   0.134053D+01  0.442929D+01 -0.298533D-01  0.372769D+01  0.139588D+02
      2  -0.765943D+01 -0.497733D+01 -0.157518D+01 -0.772033D+01  0.520174D+01
      3  -0.453831D+02 -0.421151D+02  0.703290D+01  0.967845D+01  0.149647D+01
               261           262           263           264           265 
      1  -0.551768D+00 -0.653919D+01  0.114971D+01  0.392340D+01  0.347200D+01
      2   0.185901D+01 -0.471136D+01  0.240081D+00  0.506290D+01  0.178328D+01
      3   0.307633D+00 -0.124722D+02 -0.182749D+02  0.556683D+01  0.835538D+01
               266           267           268           269           270 
      1  -0.501685D+01 -0.461827D+01  0.502428D+01 -0.519898D+01 -0.134134D+02
      2  -0.286032D+01 -0.278059D+01  0.320084D+01 -0.400934D+01 -0.129437D+02
      3   0.156037D+02  0.232885D+01  0.643798D+01  0.149545D+02 -0.299204D+00
               271           272           273           274           275 
      1  -0.591762D+01 -0.298122D+00 -0.186330D+01 -0.272765D+01 -0.154449D+01
      2   0.172570D+02  0.589653D+01  0.116963D+02 -0.771891D+01 -0.785130D+00
      3   0.114806D+03  0.175695D+02 -0.660986D+01 -0.364708D+02  0.130771D+02
               276           277           278           279           280 
      1  -0.316046D+01 -0.106687D+02 -0.610584D+01  0.910176D+00  0.730428D+01
      2  -0.174627D+01 -0.404663D+01 -0.397818D+01  0.138561D+01  0.646366D+00
      3   0.284885D+00  0.109825D+02  0.348423D+01  0.562426D+01 -0.153441D+02
               281           282           283           284           285 
      1   0.194505D+01  0.459139D+01 -0.151403D+01  0.141275D+01 -0.110474D+01
      2  -0.315932D+01  0.544803D+01  0.339174D+00  0.262193D+01 -0.862879D+00
      3  -0.201207D+02 -0.156318D+01  0.224393D+01  0.421974D+01 -0.418430D+01
               286           287           288           289           290 
      1   0.584893D+01 -0.429571D+00  0.115003D+02  0.283189D+00 -0.277401D+00
      2   0.226188D+01 -0.301321D+01  0.107407D+02  0.407378D+01  0.241963D+01
      3  -0.536147D+01 -0.930758D+01 -0.189199D+01  0.243260D+02  0.130257D+02
               291           292           293           294           295 
      1  -0.336258D+01 -0.743980D+00 -0.111764D+01 -0.565204D+01 -0.305444D+01
      2  -0.101646D+00  0.298497D+01  0.447884D+01 -0.692941D+00 -0.361548D+01
      3  -0.329536D+01  0.213810D+02  0.284054D+02 -0.434268D+01 -0.412332D+01
               296           297           298           299           300 
      1  -0.326786D+01  0.289827D+01 -0.305502D+00  0.276572D+00 -0.336245D+01
      2  -0.426431D+01  0.269325D+01 -0.407119D+01 -0.245377D+01 -0.871109D-01
      3  -0.346895D+01  0.833408D+01  0.242897D+02  0.130267D+02  0.333054D+01
               301           302           303           304           305 
      1   0.716562D+00  0.111763D+01 -0.563471D+01 -0.306857D+01 -0.326494D+01
      2  -0.299480D+01 -0.444034D+01 -0.654508D+00 -0.362718D+01 -0.425125D+01
      3   0.214656D+02  0.282996D+02  0.433220D+01  0.414244D+01  0.347829D+01
               306           307           308           309           310 
      1  -0.289627D+01 -0.729485D+01 -0.194747D+01  0.457129D+01  0.152815D+01
      2  -0.268675D+01 -0.666694D+00  0.317556D+01  0.545158D+01 -0.301559D+00
      3   0.833325D+01 -0.154405D+02 -0.200602D+02  0.153398D+01  0.227280D+01
               311           312           313           314           315 
      1  -0.140657D+01 -0.112131D+01  0.582964D+01 -0.431986D+00 -0.114887D+02
      2  -0.266923D+01 -0.900454D+00  0.227713D+01 -0.300947D+01 -0.107221D+02
      3   0.423023D+01  0.423424D+01  0.539956D+01  0.924036D+01 -0.185784D+01
               316           317           318           319           320 
      1   0.150706D+01  0.576969D+01 -0.246964D+01  0.184532D+01  0.418926D+01
      2  -0.134892D+01 -0.124556D+01  0.510477D+01  0.107808D+01  0.384140D+01
      3  -0.440537D+01 -0.141433D+02 -0.137580D+01 -0.905546D+01 -0.197875D+02
               321           322           323           324           325 
      1  -0.408796D+01  0.347471D+00  0.342451D+00  0.815406D+00 -0.243321D+01
      2   0.720039D+01  0.877350D+00  0.465421D+01  0.262017D+01  0.162344D+02
      3  -0.637692D+01 -0.396926D+00 -0.575547D+01 -0.424750D+01 -0.141251D+02
               326           327           328           329           330 
      1   0.486884D-01  0.713127D+01  0.277981D-01 -0.108337D+01 -0.136160D+01
      2  -0.790110D+01 -0.184039D+02 -0.309041D+01  0.751614D+01  0.598297D+01
      3   0.658669D+01  0.116397D+02  0.364751D+01 -0.705592D+01 -0.793327D+01
               331           332           333           334           335 
      1   0.302294D+01 -0.145825D+00 -0.832042D+01 -0.579806D+00  0.344811D+01
      2  -0.131561D+02  0.100697D+02  0.255414D+02 -0.399028D+01 -0.246192D-01
      3   0.679216D+01 -0.753603D+01 -0.141808D+02  0.108307D+00 -0.893414D+01
               336           337           338           339           340 
      1  -0.756971D+00  0.263561D+01  0.102386D+01 -0.728488D+00 -0.349116D+00
      2   0.988199D+01 -0.122749D+01  0.725060D+00 -0.702086D+00  0.610759D+01
      3   0.532056D+00 -0.432527D+01  0.123770D+01 -0.257453D+01  0.141520D+01
               341           342           343           344           345 
      1   0.721239D+00 -0.151829D+01 -0.132495D+01 -0.278215D+01  0.148542D+01
      2  -0.828952D+00  0.381110D+01  0.639067D+01  0.445186D+01 -0.117715D+02
      3   0.555120D+00  0.117967D+01  0.247312D+01  0.355986D+01 -0.359447D+01
               346           347           348           349           350 
      1  -0.115901D+01 -0.595130D+01  0.339346D+01 -0.753701D+00  0.570083D+01
      2   0.101806D+01  0.111102D+02 -0.169200D+02 -0.370996D+01 -0.134011D+02
      3   0.316433D+01  0.109353D+02 -0.106166D+02  0.138507D+00 -0.900802D+01
               351           352           353           354           355 
      1  -0.666249D+01 -0.130249D+01 -0.247568D+00  0.187896D+01  0.104164D+01
      2   0.344585D+02 -0.274088D+01  0.187094D+01  0.624351D+01  0.262693D+01
      3   0.144590D+02  0.122110D+02 -0.897718D+01 -0.168313D+01 -0.905972D+01
               356           357           358           359           360 
      1  -0.872110D+00 -0.263070D+01  0.154938D+00  0.204163D+01 -0.933703D+00
      2  -0.244826D+01 -0.415181D+01  0.604415D+01 -0.422741D+01 -0.279101D+01
      3   0.321312D+02  0.216688D+01 -0.350675D+01  0.189389D+01  0.442193D+01
               361           362           363           364           365 
      1   0.773629D+01  0.367931D+01  0.692409D+00  0.458510D+01  0.367693D+01
      2  -0.246315D+02 -0.753387D+01 -0.813801D+01 -0.772047D+01 -0.693557D+01
      3   0.953860D+01  0.334811D+01 -0.152753D+01  0.579024D+01  0.315360D+01
               366           367           368           369           370 
      1   0.924910D+00  0.551867D+00  0.247445D+01  0.121688D+01 -0.308358D+00
      2  -0.261979D+01 -0.632321D+01 -0.128816D+01 -0.339240D+01 -0.500890D+01
      3   0.254634D+01 -0.951828D+00  0.134110D+01  0.197569D+01 -0.873920D+00
               371           372           373           374           375 
      1  -0.944711D+00 -0.820892D+00 -0.167583D+01 -0.120511D+02  0.450343D+01
      2   0.178893D+01  0.606320D+00  0.129476D+01 -0.127602D+02  0.200317D+02
      3  -0.965966D+00 -0.134368D+01 -0.946498D+00 -0.162047D+02  0.131911D+02
               376           377           378           379           380 
      1   0.250561D+00  0.787141D+01 -0.436712D+01  0.805321D+01 -0.691828D+01
      2  -0.249491D-01  0.117731D+02 -0.219606D+02 -0.269747D+01  0.100880D+01
      3  -0.491149D+00  0.948510D+01 -0.114873D+02  0.940916D+01 -0.954712D+01
               381           382           383           384           385 
      1  -0.522883D+01 -0.733243D+01  0.112779D+02  0.752778D+01 -0.429219D+01
      2   0.991929D+01 -0.111488D-01 -0.725337D+01 -0.862198D+01  0.349581D+01
      3  -0.766300D+01 -0.785474D+01  0.145908D+02  0.120782D+02 -0.370149D+01
               386           387           388           389           390 
      1   0.660653D+01  0.557356D+01 -0.342127D+01 -0.159455D+01 -0.373854D+01
      2  -0.347254D+01 -0.967912D+01  0.125008D+02  0.603168D+01  0.131857D+02
      3   0.776872D+01  0.681589D+01  0.208462D+00 -0.534771D+01 -0.242400D+01
               391           392           393           394           395 
      1  -0.264800D+01 -0.184265D+01 -0.422218D+01 -0.382476D+01 -0.179782D+01
      2   0.594321D+01  0.524116D+01  0.102964D+02  0.123955D+02  0.956593D+01
      3  -0.585706D+01 -0.764421D+01 -0.336704D+01 -0.247955D+01 -0.625232D+01
               396           397           398           399           400 
      1  -0.973967D+01  0.637990D+01 -0.359179D+01 -0.273244D+01 -0.636496D+01
      2   0.321926D+02 -0.585751D+01  0.260113D+01  0.101513D+02  0.557741D+01
      3  -0.588224D+01  0.249501D+02 -0.149537D+02 -0.817283D+01 -0.224588D+02
               401           402           403           404           405 
      1   0.494882D+01  0.203338D+01 -0.462301D+01  0.270134D+01  0.251864D+01
      2  -0.532270D+01 -0.747833D+01  0.103220D+02 -0.133048D+01 -0.786106D+01
      3   0.180172D+02  0.109978D+02 -0.882276D+01  0.885773D+01  0.593113D+01
               406           407           408           409           410 
      1   0.828173D+00 -0.658992D+00 -0.789617D+00 -0.935384D+00 -0.226803D+01
      2  -0.557096D+01 -0.809544D+00  0.313636D+01 -0.487560D+01 -0.170667D+02
      3  -0.244205D+01 -0.309761D+01 -0.315246D+00 -0.111175D+02 -0.301175D+02
               411           412           413           414           415 
      1  -0.293929D+01 -0.165252D+01  0.932226D+00  0.305557D+01 -0.656139D+01
      2   0.172595D+02  0.823716D+01  0.163173D+02 -0.191935D+02  0.150413D+01
      3   0.178282D+02  0.357648D+01  0.190678D+02 -0.150270D+02 -0.250921D+02
               416           417           418           419           420 
      1   0.480358D+01  0.746949D+01  0.436349D+01 -0.718798D+01 -0.529012D+01
      2  -0.515804D+00 -0.248129D+01 -0.733458D+00  0.274323D+01  0.747353D+00
      3   0.193116D+02  0.836652D+01  0.165846D+02 -0.200613D+02 -0.795620D+01
               421           422           423           424           425 
      1   0.640529D+01 -0.510402D+01 -0.682815D+01 -0.102378D+01 -0.120037D+00
      2  -0.476785D+01  0.327230D+01  0.267021D+01  0.212979D+01 -0.259644D+00
      3   0.131138D+02 -0.144753D+02 -0.112777D+02  0.521919D+01 -0.586731D+01
               426           427           428           429           430 
      1  -0.361197D+01 -0.328911D+00 -0.268883D+01 -0.366917D+01 -0.128125D+01
      2   0.367329D+01  0.947395D+00  0.495402D+00  0.300493D+01  0.593103D+00
      3   0.172039D+01  0.158187D+01 -0.108733D+02 -0.316219D+00  0.112211D+01
               431           432           433           434           435 
      1  -0.223463D+01  0.173812D+01  0.405305D+01 -0.395210D+00  0.801672D+01
      2   0.302305D+01 -0.198966D+01 -0.667972D+01  0.212695D+01 -0.749590D+01
      3  -0.233158D+01 -0.233141D+01 -0.867381D+01  0.576101D+01 -0.730527D+01
               436           437           438           439           440 
      1   0.122077D+00  0.313074D+01 -0.391648D+00  0.592536D+01 -0.199981D+01
      2  -0.233554D+00 -0.309068D+01  0.109913D+01 -0.948666D+01  0.698956D+01
      3   0.310473D+01 -0.145402D+01  0.280335D+01 -0.831217D+01  0.839118D+01
               441           442           443           444           445 
      1   0.239876D+02  0.283764D+00  0.899079D+00 -0.835965D+00  0.163999D+01
      2  -0.214747D+02  0.500722D+01 -0.182394D+01  0.566929D+00 -0.131476D+01
      3  -0.151672D+02 -0.856478D+00 -0.933766D+00  0.138308D+01 -0.930666D+00
               446           447           448           449           450 
      1   0.120839D+02  0.448682D+01  0.266913D+00  0.785084D+01  0.434317D+01
      2   0.127562D+02  0.200281D+02 -0.904931D-01  0.117639D+02  0.219436D+02
      3  -0.162029D+02 -0.131559D+02  0.386637D+00 -0.938549D+01 -0.114696D+02
               451           452           453           454           455 
      1  -0.773214D+01 -0.369292D+01  0.671890D+00 -0.460133D+01 -0.368558D+01
      2   0.245975D+02  0.752866D+01 -0.809873D+01  0.769503D+01  0.695037D+01
      3   0.949872D+01  0.338927D+01  0.155320D+01  0.578911D+01  0.315739D+01
               456           457           458           459           460 
      1   0.911592D+00  0.555431D+00  0.247920D+01 -0.121641D+01 -0.805964D+01
      2  -0.261254D+01 -0.623554D+01 -0.130904D+01  0.331551D+01  0.267087D+01
      3  -0.254671D+01  0.103617D+01 -0.137543D+01  0.198724D+01  0.949626D+01
               461           462           463           464           465 
      1   0.690180D+01 -0.523028D+01  0.730123D+01 -0.112480D+02  0.754167D+01
      2  -0.970435D+00  0.989919D+01  0.419744D-01  0.729719D+01 -0.867253D+01
      3  -0.958503D+01  0.764156D+01 -0.780279D+01  0.145431D+02 -0.120996D+02
               466           467           468           469           470 
      1  -0.427374D+01  0.661510D+01 -0.558180D+01 -0.813824D+00  0.633876D+00
      2   0.354116D+01 -0.347424D+01  0.971925D+01  0.562133D+01  0.800905D+00
      3   0.364062D+01 -0.777302D+01  0.683688D+01 -0.254944D+01 -0.302248D+01
               471           472           473           474           475 
      1  -0.803213D+00  0.930318D+00  0.226390D+01 -0.293271D+01 -0.166776D+01
      2   0.313772D+01  0.491166D+01  0.170802D+02  0.172790D+02  0.824262D+01
      3   0.337000D+00 -0.111526D+02 -0.301328D+02 -0.178367D+02 -0.358266D+01
               476           477           478           479           480 
      1   0.929114D+00 -0.304249D+01 -0.640886D+01  0.359343D+01 -0.273636D+01
      2   0.163349D+02  0.192022D+02  0.593242D+01 -0.263235D+01  0.101726D+02
      3  -0.190697D+02 -0.150296D+02  0.248287D+02 -0.149016D+02  0.824490D+01
               481           482           483           484           485 
      1   0.638050D+01 -0.499031D+01  0.203201D+01 -0.465136D+01  0.270933D+01
      2  -0.559712D+01  0.532688D+01 -0.751442D+01  0.103579D+02 -0.134414D+01
      3  -0.225307D+02  0.180719D+02 -0.110347D+02  0.895234D+01 -0.897264D+01
               486           487           488           489           490 
      1  -0.252625D+01  0.347812D+01  0.161093D+01 -0.371227D+01  0.268011D+01
      2   0.788569D+01 -0.125464D+02 -0.605545D+01  0.131599D+02 -0.594730D+01
      3   0.598812D+01  0.258050D+00 -0.536983D+01  0.238188D+01 -0.585457D+01
               491           492           493           494           495 
      1   0.185301D+01 -0.419756D+01 -0.383755D+01 -0.179319D+01  0.971846D+01
      2  -0.523523D+01  0.102290D+02  0.123887D+02  0.955415D+01 -0.321385D+02
      3  -0.763599D+01  0.334235D+01  0.250590D+01  0.620963D+01 -0.585294D+01
               496           497           498           499           500 
      1   0.621070D+00 -0.348241D+01 -0.774947D+00 -0.267017D+01 -0.101748D+01
      2   0.394297D+01  0.927598D-01  0.986565D+01  0.127100D+01 -0.745645D+00
      3   0.747657D-01 -0.891474D+01 -0.587572D+00 -0.426323D+01  0.122171D+01
               501           502           503           504           505 
      1  -0.734012D+00 -0.338072D+00  0.769126D+00  0.151199D+01  0.131699D+01
      2  -0.709983D+00  0.607150D+01 -0.906926D+00 -0.375396D+01 -0.635485D+01
      3   0.260056D+01 -0.123701D+01 -0.622614D+00  0.119152D+01  0.243473D+01
               506           507           508           509           510 
      1   0.278754D+01  0.148381D+01  0.110899D+01  0.591057D+01  0.338483D+01
      2  -0.446967D+01 -0.117208D+02 -0.965965D+00 -0.111299D+02 -0.168868D+02
      3   0.359754D+01  0.360462D+01  0.303814D+01  0.110253D+02  0.106352D+02
               511           512           513           514           515 
      1  -0.803827D+00  0.567473D+01  0.664205D+01  0.243416D+01 -0.407778D-01
      2  -0.364438D+01 -0.133824D+02 -0.344807D+02 -0.162200D+02  0.790379D+01
      3  -0.829421D-01  0.900230D+01  0.144873D+02 -0.141402D+02  0.662469D+01
               516           517           518           519           520 
      1   0.712979D+01 -0.491027D-01  0.107030D+01 -0.136639D+01  0.302992D+01
      2  -0.184437D+02  0.308305D+01 -0.751193D+01  0.599016D+01 -0.130963D+02
      3  -0.116517D+02  0.371537D+01 -0.709344D+01  0.795045D+01 -0.675061D+01
               521           522           523           524           525 
      1  -0.147447D+00  0.832948D+01 -0.153369D+01 -0.577404D+01 -0.246970D+01
      2   0.100837D+02 -0.255564D+02  0.137107D+01  0.126364D+01  0.510787D+01
      3   0.754847D+01 -0.141794D+02 -0.436794D+01 -0.141876D+02  0.138456D+01
               526           527           528           529           530 
      1  -0.185052D+01 -0.419764D+01 -0.406222D+01  0.350944D+00  0.318197D+00
      2  -0.109504D+01 -0.379671D+01  0.719534D+01  0.957626D+00  0.463599D+01
      3  -0.899357D+01 -0.198445D+02  0.635592D+01  0.393419D+00  0.575874D+01
               531           532           533           534           535 
      1  -0.816848D+00  0.130772D+01  0.258307D+00  0.187426D+01 -0.109612D+01
      2  -0.263785D+01  0.267408D+01 -0.185951D+01  0.627360D+01 -0.262418D+01
      3  -0.420806D+01  0.122376D+02 -0.897778D+01  0.166286D+01 -0.910842D+01
               536           537           538           539           540 
      1   0.835794D+00 -0.263053D+01  0.136518D+00  0.206809D+01  0.932229D+00
      2   0.250969D+01 -0.413766D+01  0.592547D+01 -0.415358D+01  0.284547D+01
      3   0.321487D+02 -0.218185D+01  0.368451D+01 -0.208114D+01  0.437654D+01
               541           542           543           544           545 
      1   0.985025D+00  0.686355D-01 -0.361135D+01  0.366050D+00  0.271998D+01
      2  -0.214269D+01  0.266140D+00  0.368285D+01 -0.982960D+00 -0.532630D+00
      3   0.514649D+01 -0.582299D+01 -0.170430D+01  0.161567D+01 -0.108386D+02
               546           547           548           549           550 
      1  -0.365017D+01 -0.128378D+01 -0.222475D+01 -0.175386D+01  0.653333D+01
      2   0.301179D+01  0.584713D+00  0.301223D+01  0.199501D+01 -0.151425D+01
      3   0.319799D+00 -0.116024D+01  0.236417D+01 -0.232504D+01 -0.249522D+02
               551           552           553           554           555 
      1  -0.480809D+01  0.747357D+01 -0.439199D+01  0.719065D+01 -0.530688D+01
      2   0.517756D+00 -0.247969D+01  0.722825D+00 -0.274037D+01  0.767631D+00
      3   0.192351D+02 -0.834440D+01  0.165846D+02 -0.200685D+02  0.796197D+01
               556           557           558           559           560 
      1   0.640431D+01 -0.512590D+01  0.686574D+01 -0.405301D+01  0.435293D+00
      2  -0.478807D+01  0.327366D+01 -0.270583D+01  0.668115D+01 -0.213945D+01
      3  -0.130964D+02  0.144959D+02 -0.113221D+02 -0.874175D+01  0.575382D+01
               561           562           563           564           565 
      1   0.800364D+01 -0.117077D+00 -0.315580D+01 -0.382812D+00  0.594784D+01
      2  -0.747046D+01  0.216152D+00  0.311268D+01  0.111891D+01 -0.951255D+01
      3   0.732486D+01  0.316384D+01 -0.147447D+01 -0.283829D+01  0.833924D+01
               566           567 
      1  -0.200302D+01 -0.239463D+02
      2   0.699428D+01  0.214379D+02
      3  -0.842179D+01 -0.151829D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103815D+03 -0.137744D+02  0.292231D+02 -0.127199D+02  0.305175D+02
      2   0.617608D+02  0.170765D+02 -0.881434D+01  0.762850D+01 -0.187374D+02
      3   0.420540D+02 -0.330216D+01 -0.204088D+02  0.509140D+01 -0.117801D+02
      4  -0.923373D+01  0.132814D+02  0.639903D+01  0.229696D+02 -0.976456D+01
      5   0.403114D+02  0.756869D+01  0.136045D+02  0.631178D+00 -0.234001D+01
      6   0.166202D-01 -0.514383D+01 -0.252867D+01 -0.497737D+01  0.257168D+01
                 6             7             8             9            10 
      1   0.106626D+02 -0.171003D+01  0.566140D+01  0.256186D+02 -0.759816D+01
      2   0.481374D+01  0.928359D+01  0.761244D+01 -0.860359D+01  0.726216D+01
      3  -0.154763D+02 -0.757356D+01 -0.132738D+02 -0.170150D+02  0.335998D+00
      4   0.320195D+01 -0.491231D+01 -0.433662D+01  0.333989D+02  0.954937D+01
      5   0.336769D+02  0.258295D+02  0.346393D+02 -0.472098D+01 -0.166775D+01
      6  -0.166423D+00  0.316177D+01  0.282948D+01 -0.122283D+02  0.265302D+01
                11            12            13            14            15 
      1   0.817209D+01 -0.652858D+01  0.152773D+02 -0.413118D+02  0.100099D+02
      2  -0.122516D+01  0.305289D+01 -0.242384D+01  0.228712D+02 -0.794927D+01
      3  -0.694693D+01  0.347569D+01 -0.128535D+02  0.184405D+02 -0.206064D+01
      4  -0.289421D+02  0.801914D+01 -0.492668D+02  0.455106D+01 -0.221761D+02
      5   0.125790D+02 -0.196748D+02  0.139276D+02 -0.197759D+02 -0.435149D+02
      6   0.265509D+01 -0.215785D+01 -0.142352D+01 -0.101442D+01 -0.751673D+01
                16            17            18            19            20 
      1   0.440042D+01  0.968013D+01 -0.318065D+02  0.734190D+02  0.543825D+02
      2  -0.779540D+01 -0.940597D+01  0.220610D+02 -0.499405D+02 -0.425678D+02
      3   0.339497D+01 -0.274151D+00  0.974551D+01 -0.234785D+02 -0.118147D+02
      4   0.650069D+01 -0.948160D+01 -0.297002D+02  0.423166D+02  0.778485D+02
      5  -0.485517D+02 -0.333416D+02  0.556376D+01 -0.499127D+01  0.210039D+01
      6  -0.633989D+01 -0.669702D+01  0.984912D+00 -0.204103D+01 -0.569270D+01
                21            22            23            24            25 
      1   0.272757D+01  0.158374D+02  0.315118D+02 -0.169707D+01 -0.489159D+01
      2  -0.179826D+01 -0.561286D+01 -0.107254D+02  0.165792D+01  0.289289D+01
      3  -0.929315D+00 -0.102245D+02 -0.207864D+02  0.391507D-01  0.199870D+01
      4   0.641636D+01  0.285160D+02  0.952405D+02  0.141531D+02  0.502782D+00
      5   0.154873D+02 -0.384884D+01  0.119861D+02  0.178489D+02  0.310466D+02
      6  -0.304738D+00  0.108748D+01 -0.435476D+01  0.791395D+01 -0.506913D+00
                26            27            28            29            30 
      1   0.906998D+00  0.158772D+02 -0.754027D+01  0.252882D+02 -0.389462D-01
      2  -0.806510D+00 -0.173101D+02  0.967942D+00 -0.232034D+02 -0.205524D+01
      3  -0.100488D+00  0.143285D+01  0.657233D+01 -0.208482D+01  0.209419D+01
      4   0.124024D+02  0.110575D+02  0.456652D+01  0.395016D+02  0.326326D+00
      5   0.161596D+02  0.641739D+01 -0.623983D+01 -0.304969D+01 -0.160863D+02
      6   0.760247D+01  0.141931D+01 -0.890772D+01 -0.886097D+01 -0.137561D+01
                31            32            33            34            35 
      1   0.506926D+02  0.488273D+02  0.212887D+00  0.774504D+01 -0.254854D+01
      2  -0.481857D+02 -0.485764D+02  0.174211D+01 -0.985790D+01 -0.262009D+01
      3  -0.250691D+01 -0.250909D+00 -0.195500D+01  0.211285D+01  0.516864D+01
      4   0.323791D+02  0.201218D+02  0.314416D+00 -0.869987D+01  0.249536D+01
      5  -0.983257D+01 -0.319578D+01  0.116299D+01  0.124297D+02  0.168090D+02
      6  -0.965635D+01 -0.729947D+01 -0.667030D+01  0.192386D+01  0.282769D+01
                36            37            38            39            40 
      1   0.392678D+01 -0.410097D+02  0.109482D+02 -0.130343D+02  0.535206D+02
      2  -0.115010D+02  0.445571D+02  0.281696D+01  0.128568D+02 -0.258809D+02
      3   0.757425D+01 -0.354737D+01 -0.137651D+02  0.177571D+00 -0.276397D+02
      4   0.144419D+02  0.148276D+02  0.159081D+02  0.143986D+02  0.274428D+02
      5   0.432492D+01 -0.701852D+01  0.229070D+02 -0.279544D+02  0.279240D+02
      6  -0.432055D+01  0.676698D+01  0.745130D+01 -0.742899D+01  0.518363D+01
                41            42            43            44            45 
      1   0.858301D+01  0.276829D+02 -0.129408D+02  0.303824D+02 -0.449067D+02
      2   0.915519D+00 -0.228281D+02  0.122397D+02 -0.255988D+02  0.322923D+02
      3  -0.949853D+01 -0.485477D+01  0.701099D+00 -0.478353D+01  0.126145D+02
      4   0.228767D+01 -0.110196D+02  0.353760D+02  0.341580D+01 -0.203836D+02
      5  -0.141470D+02  0.182494D+02 -0.535204D+02 -0.160983D+02  0.213892D+02
      6  -0.524004D+01  0.441732D+01 -0.197638D+02 -0.628538D+01  0.155158D+02
                46            47            48            49            50 
      1   0.134046D+02 -0.217725D+02  0.255247D+02 -0.245177D+02 -0.374960D+02
      2  -0.163488D+02 -0.698121D+01 -0.431894D+01  0.696856D-01  0.160830D+02
      3   0.294417D+01  0.287537D+02 -0.212058D+02  0.244480D+02  0.214130D+02
      4  -0.349384D+02 -0.493423D+02  0.447920D+01 -0.577488D+02 -0.173457D+02
      5   0.156222D+02  0.388415D+01  0.208813D+02  0.884469D+01  0.267837D+02
      6   0.154594D+02  0.920826D+01  0.168466D+02  0.145167D+02  0.110935D+02
                51            52            53            54            55 
      1  -0.540766D+01  0.483499D+01 -0.215470D+02  0.441355D+02 -0.228085D+02
      2   0.420083D+01  0.620353D+01  0.131812D+02 -0.286334D+02 -0.632727D+01
      3   0.120682D+01 -0.110385D+02  0.836574D+01 -0.155020D+02  0.291358D+02
      4   0.200957D+02 -0.196502D+02 -0.608441D+01  0.949280D+01 -0.506517D+02
      5  -0.752452D+01  0.397113D+02  0.428331D+01 -0.267858D+02  0.115629D+02
      6  -0.864802D+01  0.224353D+02 -0.401801D+01 -0.537265D+01 -0.684554D+01
                56            57            58            59            60 
      1  -0.614424D+02  0.115390D+02 -0.803107D+02  0.106091D+02 -0.296032D+02
      2   0.382487D+02 -0.187719D+02  0.488810D+02 -0.149948D+02  0.156329D+02
      3   0.231936D+02  0.723290D+01  0.314297D+02  0.438566D+01  0.139703D+02
      4  -0.731177D+01 -0.150164D+02  0.631380D+01  0.142217D+02  0.295329D+02
      5  -0.242704D+02  0.410543D+02 -0.278072D+02  0.334637D+02  0.254163D+02
      6  -0.143717D+01  0.378635D+01  0.179859D+01  0.374666D+01  0.127018D+02
                61            62            63            64            65 
      1   0.295030D+02 -0.240445D+02  0.505072D+02  0.153482D+02 -0.280190D+01
      2  -0.271945D+02  0.158588D+02 -0.209541D+02 -0.155761D+02  0.503681D+01
      3  -0.230846D+01  0.818564D+01 -0.295531D+02  0.227952D+00 -0.223491D+01
      4  -0.683106D+01  0.298851D+02  0.336167D+02  0.672368D+01 -0.426793D+02
      5   0.523827D+02  0.246382D+02 -0.682794D+00  0.654965D+01 -0.693406D+01
      6   0.795641D+01  0.101363D+02  0.464333D+01  0.559256D+01  0.605247D+01
                66            67            68            69            70 
      1   0.426034D+01  0.439364D+01 -0.158318D+02 -0.145791D+01  0.323344D+01
      2  -0.174180D+01 -0.352483D+01  0.179897D+02  0.555145D+00 -0.254036D+01
      3  -0.251853D+01 -0.868807D+00 -0.215793D+01  0.902766D+00 -0.693078D+00
      4  -0.709989D+01  0.108265D+02  0.236885D+02  0.201608D+01  0.181447D+01
      5   0.181212D+02  0.341550D+01  0.315239D+01  0.448579D+01  0.187607D+01
      6   0.196339D+00  0.256026D+01  0.628998D+00  0.554490D+01 -0.572198D+00
                71            72            73            74            75 
      1   0.812465D-01 -0.349954D+01 -0.594124D+02  0.871282D+00  0.316456D-01
      2   0.434503D-02  0.107798D+01  0.314598D+02 -0.475559D+01  0.426419D-01
      3  -0.855915D-01  0.242156D+01  0.279526D+02  0.388430D+01 -0.742876D-01
      4  -0.107584D+01  0.409969D+01 -0.322659D+01 -0.286696D+02 -0.142889D-01
      5   0.188092D+01  0.148714D+01  0.664343D-01 -0.322340D-02 -0.261931D+02
      6   0.732396D+01  0.999429D+00  0.259196D-01  0.587260D-01 -0.497109D+01
                76            77            78            79            80 
      1  -0.288755D+01 -0.105732D+02 -0.124011D+00  0.109054D+00 -0.945269D-01
      2   0.687767D+01  0.883485D+01  0.687779D-01 -0.702493D-01  0.121112D-01
      3  -0.399012D+01  0.173833D+01  0.552327D-01 -0.388051D-01  0.824156D-01
      4  -0.163631D+02  0.157986D+02  0.356766D-01 -0.130473D+00  0.954195D-01
      5  -0.551908D-01  0.856966D-01  0.274993D+01  0.690826D+01  0.176032D+01
      6   0.160144D-01  0.756902D-01  0.255499D+01  0.257716D+01  0.626393D+01
                81            82            83            84            85 
      1  -0.224559D+02 -0.363708D+02 -0.645883D+02 -0.129678D+02  0.511995D+01
      2  -0.147578D+01  0.307490D+02  0.572667D+02  0.784191D+01 -0.157887D+01
      3   0.239317D+02  0.562180D+01  0.732162D+01  0.512592D+01 -0.354108D+01
      4  -0.393547D+00 -0.428033D+02 -0.597407D+00 -0.308172D+01  0.190515D+02
      5   0.360540D-01 -0.690783D+01 -0.190681D+01  0.250473D+02  0.197039D+01
      6   0.274737D-01  0.836509D+01  0.214321D+01  0.117112D+02 -0.520362D+01
                86            87            88            89            90 
      1  -0.931942D+01 -0.855981D+00  0.254667D+00  0.947030D+00 -0.856188D+01
      2   0.115101D+02  0.238343D+00 -0.206663D+01 -0.280553D+01  0.450157D+01
      3  -0.219070D+01  0.617638D+00  0.181197D+01  0.185850D+01  0.406031D+01
      4   0.205201D+01  0.637123D+00  0.320392D+01  0.291603D+01 -0.228904D+01
      5  -0.333868D+00 -0.204077D+01  0.946144D+00  0.195425D+01  0.958004D-01
      6   0.227431D+01  0.375245D+01  0.511476D+01  0.886447D+01  0.194910D+01
                91            92            93            94            95 
      1  -0.573405D+01  0.191929D+02  0.485663D+01 -0.896913D+02 -0.977715D+02
      2  -0.566110D+01 -0.177881D+02 -0.239429D+01  0.769100D+02  0.709972D+02
      3   0.113951D+02 -0.140481D+01 -0.246234D+01  0.127812D+02  0.267743D+02
      4   0.277263D+02 -0.489645D+02 -0.355965D+01 -0.944628D+02 -0.153999D+03
      5   0.405167D+01 -0.317385D+01 -0.283961D+02 -0.901414D+01 -0.143302D+02
      6  -0.714779D+01  0.204443D+01 -0.803928D+01  0.853148D+01  0.517415D+01
                96            97            98            99           100 
      1  -0.977812D+01 -0.183373D+02 -0.141728D+02 -0.260875D+02 -0.212473D+02
      2   0.776321D+01  0.133318D+02  0.740564D+01  0.126604D+02  0.198944D+02
      3   0.201491D+01  0.500549D+01  0.676711D+01  0.134271D+02  0.135289D+01
      4  -0.178814D+02 -0.127895D+02 -0.197387D+02 -0.273795D+02 -0.276945D+02
      5  -0.234905D+02 -0.910434D+01 -0.262082D+02 -0.107116D+02 -0.697210D+00
      6  -0.742862D+00  0.500826D+01  0.130357D+02  0.229460D+01 -0.397468D+00
               101           102           103           104           105 
      1  -0.195257D+02  0.538746D+00  0.277449D+02  0.470738D+02  0.934480D+01
      2   0.112524D+02 -0.293216D+01 -0.399074D+02 -0.383290D+02 -0.525610D+01
      3   0.827326D+01  0.239341D+01  0.121624D+02 -0.874473D+01 -0.408870D+01
      4  -0.226868D+02 -0.329637D+01  0.524891D+02  0.123137D+02  0.148827D+00
      5  -0.120941D+01 -0.129763D+02  0.966000D+01  0.621871D+00 -0.489020D+01
      6  -0.305747D+01  0.856701D+01 -0.962709D+01  0.440040D+00 -0.778535D+01
               106           107           108           109           110 
      1   0.933763D+01  0.192327D+01 -0.424317D+01  0.218131D+02  0.114522D+02
      2  -0.112474D+02  0.256254D+01 -0.924530D+00 -0.113507D+02 -0.185359D+02
      3   0.190979D+01 -0.448581D+01  0.516770D+01 -0.104624D+02  0.708376D+01
      4   0.554514D+01 -0.973183D+01  0.124049D+02 -0.971484D+01  0.377126D+02
      5  -0.995676D+01  0.813851D+01 -0.161479D+01  0.127775D+02 -0.279901D+01
      6   0.749853D+01 -0.125553D+02  0.203131D+00 -0.111506D+02  0.246969D+01
               111           112           113           114           115 
      1   0.107776D+02 -0.383691D+01 -0.174444D+02  0.300912D+01  0.106222D+02
      2  -0.555049D+01 -0.424293D+00  0.285741D+02 -0.785424D+01 -0.788074D+01
      3  -0.522714D+01  0.426120D+01 -0.111297D+02  0.484512D+01 -0.274144D+01
      4  -0.818786D+01  0.724522D+01 -0.351232D+02  0.994447D+01 -0.704495D+01
      5   0.109957D+02 -0.415687D+01  0.888207D+01 -0.462153D+01  0.140660D+02
      6  -0.787023D+01  0.421357D+01 -0.114922D+02  0.104844D+02 -0.115083D+02
               116           117           118           119           120 
      1   0.166107D+02  0.221298D+00  0.100295D+02 -0.321436D+02  0.647622D+01
      2  -0.205817D+02  0.967567D+00 -0.338467D+02  0.555695D+01 -0.207229D+02
      3   0.397106D+01 -0.118886D+01  0.238173D+02  0.265866D+02  0.142467D+02
      4   0.303744D+02 -0.169044D+02 -0.431649D+02 -0.448850D+02 -0.881379D+01
      5  -0.124796D+02  0.280735D+02 -0.250796D+00 -0.167565D+02  0.207973D+02
      6   0.174831D+02 -0.271609D+02 -0.103573D+00 -0.153122D+02  0.177917D+02
               121           122           123           124           125 
      1  -0.257842D+02 -0.198832D+02 -0.220169D+02  0.702352D+01 -0.211773D+02
      2   0.666557D+01  0.533625D+01  0.219846D+02 -0.185455D+02  0.269248D+02
      3   0.191186D+02  0.145469D+02  0.322338D-01  0.115220D+02 -0.574752D+01
      4  -0.391081D+02 -0.134523D+02  0.218076D+01 -0.903526D+01  0.283916D+01
      5  -0.166699D+02  0.802145D+01 -0.439461D+01  0.205700D+02 -0.376037D+01
      6  -0.119103D+02  0.138372D+02 -0.137427D+01  0.185914D+02 -0.481661D+01
               126           127           128           129           130 
      1   0.336996D+02  0.129140D+02  0.627568D+02 -0.813450D+01  0.900295D+02
      2  -0.109976D+02  0.558423D+01 -0.381610D+02  0.134831D+02 -0.568709D+02
      3  -0.227020D+02 -0.184982D+02 -0.245959D+02 -0.534863D+01 -0.331586D+02
      4   0.120747D+02  0.613090D+02 -0.783975D+00  0.226810D+02 -0.250880D+02
      5  -0.184902D+02 -0.776233D+01  0.279167D+02 -0.320962D+02  0.327057D+02
      6  -0.235146D+02  0.971159D+01  0.772766D+00 -0.260776D+01 -0.622848D+01
               131           132           133           134           135 
      1  -0.177232D+02  0.414791D+02 -0.119048D+02  0.311942D+02 -0.402435D+02
      2   0.102832D+02 -0.254145D+02  0.150301D+02 -0.190544D+02  0.912635D+01
      3   0.743999D+01 -0.160646D+02 -0.312524D+01 -0.121398D+02  0.311171D+02
      4  -0.236091D+02 -0.351045D+02  0.153321D+02 -0.335009D+02 -0.431557D+02
      5  -0.397487D+02 -0.275909D+02 -0.451423D+02 -0.343485D+02  0.116843D+02
      6  -0.135846D+02 -0.189555D+02 -0.889651D+01 -0.186659D+02 -0.309851D+01
               136           137           138           139           140 
      1   0.359652D+02  0.362856D+02 -0.751904D+01  0.448108D+02  0.354236D-01
      2  -0.859890D+01 -0.260296D+02  0.138301D+02 -0.304912D+02  0.142320D+02
      3  -0.273663D+02 -0.102560D+02 -0.631110D+01 -0.143195D+02 -0.142675D+02
      4   0.405866D+02 -0.464821D+01  0.184922D+02 -0.148154D+02 -0.740662D+01
      5  -0.222842D+00  0.318541D+02 -0.305730D+02  0.334538D+02 -0.419768D+02
      6   0.164468D+02 -0.544170D+01  0.594190D+01 -0.115008D+02 -0.942704D+01
               141           142           143           144           145 
      1   0.324263D+02 -0.472265D+01  0.252134D+02 -0.267052D+02  0.151633D+02
      2  -0.117398D+02  0.139722D+02 -0.641642D+01  0.494785D+01 -0.154565D+02
      3  -0.206865D+02 -0.924950D+01 -0.187970D+02  0.217574D+02  0.293218D+00
      4  -0.377096D+02  0.121289D+02 -0.257116D+02 -0.205532D+02  0.698610D+01
      5  -0.998853D+01 -0.299984D+02 -0.135318D+02 -0.288199D+00 -0.658596D+01
      6  -0.300526D+02  0.200687D+01 -0.213325D+02 -0.108537D+02 -0.568909D+01
               146           147           148           149           150 
      1  -0.264103D+01 -0.439624D+01  0.451116D+01 -0.158985D+02  0.149493D+01
      2   0.497380D+01  0.175324D+01 -0.355985D+01  0.180047D+02 -0.553477D+00
      3  -0.233278D+01  0.264299D+01 -0.951310D+00 -0.210622D+01 -0.941450D+00
      4  -0.426850D+02  0.703591D+01  0.107497D+02  0.238134D+02 -0.204606D+01
      5   0.685306D+01  0.180722D+02 -0.336408D+01 -0.319895D+01  0.453492D+01
      6  -0.604570D+01  0.184373D+00 -0.254907D+01 -0.644283D+00  0.554656D+01
               151           152           153           154           155 
      1  -0.329117D+01  0.580629D-02 -0.348498D+01 -0.771922D+01  0.251268D+02
      2   0.253985D+01 -0.447395D-01  0.107381D+01  0.108839D+01 -0.230668D+02
      3   0.751317D+00  0.389332D-01  0.241117D+01  0.663083D+01 -0.205996D+01
      4  -0.174052D+01  0.937842D+00  0.408847D+01  0.442260D+01  0.396218D+02
      5   0.187820D+01  0.187045D+01 -0.149324D+01  0.621549D+01  0.309436D+01
      6  -0.571230D+00  0.732019D+01 -0.100933D+01  0.896853D+01  0.878019D+01
               156           157           158           159           160 
      1   0.100704D+00  0.507325D+02  0.488057D+02 -0.152201D+00 -0.758412D+01
      2   0.204823D+01 -0.481930D+02 -0.485198D+02 -0.180588D+01  0.980213D+01
      3  -0.214894D+01 -0.253950D+01 -0.285860D+00  0.195808D+01 -0.221801D+01
      4  -0.241263D+00  0.322562D+02  0.201688D+02 -0.296668D+00  0.833609D+01
      5  -0.161444D+02  0.990332D+01  0.322345D+01  0.113028D+01  0.125445D+02
      6  -0.145344D+01  0.970804D+01  0.728873D+01 -0.676868D+01  0.192980D+01
               161           162           163           164           165 
      1   0.229069D+01  0.404634D+01 -0.411551D+02  0.110177D+02  0.130660D+02
      2   0.269969D+01 -0.114964D+02  0.446038D+02  0.270600D+01 -0.129134D+02
      3  -0.499038D+01  0.745006D+01 -0.344866D+01 -0.137237D+02 -0.152578D+00
      4  -0.225655D+01  0.144217D+02  0.148364D+02  0.157292D+02 -0.143049D+02
      5   0.167733D+02 -0.436900D+01  0.711551D+01 -0.227734D+02 -0.278453D+02
      6   0.286873D+01  0.432160D+01 -0.668552D+01 -0.744971D+01 -0.737962D+01
               166           167           168           169           170 
      1   0.534639D+02  0.861599D+01 -0.277138D+02  0.131417D+02 -0.304310D+02
      2  -0.258328D+02  0.929759D+00  0.228307D+02 -0.123161D+02  0.256469D+02
      3  -0.276311D+02 -0.954575D+01  0.488311D+01 -0.825611D+00  0.478416D+01
      4   0.273746D+02  0.237013D+01  0.110254D+02 -0.353679D+02 -0.345666D+01
      5  -0.279638D+02  0.141765D+02  0.181812D+02 -0.534160D+02 -0.161659D+02
      6  -0.520136D+01  0.526517D+01  0.430870D+01 -0.197169D+02 -0.637586D+01
               171           172           173           174           175 
      1  -0.447991D+02 -0.227987D+02 -0.614751D+02 -0.118313D+02 -0.799756D+02
      2   0.321326D+02 -0.633028D+01  0.382770D+02  0.188649D+02  0.486860D+02
      3   0.126665D+02  0.291290D+02  0.231981D+02 -0.703365D+01  0.312896D+02
      4  -0.204690D+02 -0.506241D+02 -0.739394D+01  0.150053D+02  0.595304D+01
      5  -0.215381D+02 -0.117602D+02  0.242951D+02  0.409350D+02  0.278213D+02
      6  -0.155830D+02  0.681450D+01  0.145560D+01  0.378953D+01 -0.181033D+01
               176           177           178           179           180 
      1   0.102890D+02  0.296881D+02 -0.295140D+02  0.237699D+02  0.503646D+02
      2  -0.148739D+02 -0.155806D+02  0.271177D+02 -0.157370D+02 -0.208981D+02
      3   0.458486D+01 -0.141075D+02  0.239631D+01 -0.803295D+01 -0.294666D+02
      4   0.145722D+02 -0.295433D+02  0.651149D+01 -0.297596D+02  0.336758D+02
      5  -0.335275D+02  0.256819D+02  0.522670D+02  0.247101D+02  0.920011D+00
      6  -0.372469D+01  0.127351D+02  0.795735D+01  0.101405D+02 -0.456128D+01
               181           182           183           184           185 
      1  -0.759594D+01  0.833292D+01  0.670660D+01  0.158053D+02 -0.416721D+02
      2   0.718754D+01 -0.132275D+01 -0.317072D+01 -0.266847D+01  0.231125D+02
      3   0.408404D+00 -0.701017D+01 -0.353588D+01 -0.131369D+02  0.185596D+02
      4   0.956794D+01 -0.290299D+02 -0.811908D+01 -0.496414D+02  0.477477D+01
      5   0.188510D+01 -0.126704D+02 -0.195199D+02 -0.139972D+02  0.197541D+02
      6  -0.263961D+01 -0.265959D+01 -0.224154D+01  0.138866D+01  0.102310D+01
               186           187           188           189           190 
      1  -0.100217D+02 -0.525200D+01 -0.889636D+01 -0.317630D+02  0.725196D+02
      2   0.794582D+01  0.808060D+01  0.913573D+01  0.220731D+02 -0.495351D+02
      3   0.207593D+01 -0.282860D+01 -0.239366D+00  0.968995D+01 -0.229845D+02
      4   0.221578D+02 -0.550506D+01  0.855069D+01 -0.296360D+02  0.430580D+02
      5  -0.434464D+02 -0.485538D+02 -0.333170D+02 -0.569020D+01  0.497386D+01
      6  -0.750105D+01 -0.631131D+01 -0.670679D+01 -0.981385D+00  0.206883D+01
               191           192           193           194           195 
      1   0.549056D+02 -0.274783D+01  0.151930D+02  0.320852D+02  0.183673D+01
      2  -0.427112D+02  0.179283D+01 -0.535436D+01 -0.110737D+02 -0.177183D+01
      3  -0.121944D+02  0.954996D+00 -0.983865D+01 -0.210114D+02 -0.648993D-01
      4   0.771308D+02 -0.639277D+01  0.289339D+02  0.946802D+02 -0.141862D+02
      5  -0.206188D+01  0.152852D+02  0.402636D+01 -0.119819D+02  0.176980D+02
      6   0.570777D+01 -0.298824D+00 -0.109511D+01  0.428548D+01  0.790258D+01
               196           197           198           199           200 
      1   0.481252D+01 -0.728210D+00  0.159532D+02 -0.103758D+03 -0.137385D+02
      2  -0.288766D+01  0.668378D+00 -0.173567D+02  0.617922D+02  0.171378D+02
      3  -0.192486D+01  0.598321D-01  0.140354D+01  0.419655D+02 -0.339935D+01
      4  -0.341098D+00 -0.124153D+02  0.110139D+02 -0.912537D+01  0.131231D+02
      5   0.310676D+02  0.160746D+02 -0.641209D+01 -0.404715D+02 -0.761893D+01
      6  -0.510731D+00  0.757836D+01 -0.141569D+01  0.128680D-01  0.512775D+01
               201           202           203           204           205 
      1  -0.293621D+02 -0.127356D+02  0.306705D+02 -0.108111D+02  0.972415D+00
      2   0.885176D+01  0.765461D+01 -0.188209D+02 -0.478055D+01 -0.895205D+01
      3   0.205103D+02  0.508101D+01 -0.118496D+02  0.155916D+02  0.797964D+01
      4  -0.645507D+01  0.231291D+02 -0.975248D+01 -0.299152D+01  0.518911D+01
      5   0.135748D+02 -0.817812D+00  0.254509D+01  0.336877D+02  0.256893D+02
      6  -0.251247D+01  0.502502D+01 -0.255836D+01 -0.114959D+00  0.312445D+01
               206           207           208           209           210 
      1  -0.550321D+01  0.254783D+02  0.129691D+02 -0.214520D+02 -0.255042D+02
      2  -0.770421D+01 -0.852366D+01 -0.161310D+02 -0.709075D+01  0.432277D+01
      3   0.132074D+02 -0.169546D+02  0.316195D+01  0.285428D+02  0.211814D+02
      4   0.399955D+01  0.333109D+02 -0.345165D+02 -0.497109D+02 -0.455464D+01
      5   0.345726D+02  0.472337D+01 -0.155385D+02 -0.396459D+01  0.207510D+02
      6   0.286686D+01  0.122834D+02 -0.155059D+02 -0.922773D+01  0.168561D+02
               211           212           213           214           215 
      1  -0.244307D+02 -0.373781D+02  0.532233D+01 -0.511446D+01  0.218186D+02
      2   0.790545D-02  0.159719D+02 -0.424221D+01 -0.607283D+01 -0.132608D+02
      3   0.244228D+02  0.214063D+02 -0.108012D+01  0.111873D+02 -0.855780D+01
      4  -0.575838D+02 -0.174877D+02 -0.200501D+02  0.199320D+02  0.575057D+01
      5  -0.880476D+01 -0.267110D+02 -0.749855D+01  0.396692D+02  0.426814D+01
      6  -0.145171D+02 -0.111070D+02 -0.856540D+01  0.224496D+02 -0.400409D+01
               216           217           218           219           220 
      1   0.440602D+02  0.357061D+02  0.368132D+02  0.761580D+01  0.447840D+02
      2  -0.286656D+02 -0.849738D+01 -0.261954D+02 -0.138484D+02 -0.304497D+02
      3  -0.153946D+02 -0.272087D+02 -0.106177D+02  0.623256D+01 -0.143343D+02
      4   0.952458D+01  0.409695D+02 -0.513424D+01 -0.183431D+02 -0.148283D+02
      5   0.268030D+02  0.250956D+00 -0.317567D+02 -0.306177D+02 -0.334346D+02
      6   0.536122D+01 -0.163954D+02  0.551042D+01  0.582067D+01  0.115868D+02
               221           222           223           224           225 
      1  -0.102922D-01 -0.323388D+02  0.494432D+01 -0.250691D+02 -0.267419D+02
      2   0.143275D+02  0.116711D+02 -0.140741D+02  0.634641D+01  0.498033D+01
      3  -0.143172D+02  0.206677D+02  0.912983D+01  0.187227D+02  0.217615D+02
      4  -0.741763D+01  0.378019D+02 -0.118717D+02  0.257074D+02 -0.206559D+02
      5   0.421164D+02 -0.101729D+02 -0.300422D+02 -0.136633D+02  0.182605D+00
      6   0.935921D+01 -0.301031D+02  0.188234D+01 -0.212761D+02  0.108529D+02
               226           227           228           229           230 
      1   0.132087D+02  0.623341D+02  0.847098D+01  0.902883D+02 -0.179187D+02
      2   0.551953D+01 -0.380038D+02 -0.135306D+02 -0.569376D+02  0.102940D+02
      3  -0.187282D+02 -0.243303D+02  0.505965D+01 -0.333507D+02  0.762465D+01
      4   0.607099D+02 -0.358696D+00 -0.226134D+02 -0.251901D+02 -0.234715D+02
      5   0.802218D+01 -0.278533D+02 -0.319236D+02 -0.323684D+02  0.395172D+02
      6  -0.959096D+01 -0.821915D+00 -0.250788D+01  0.622282D+01  0.135702D+02
               231           232           233           234           235 
      1  -0.411514D+02  0.118762D+02 -0.309689D+02 -0.401243D+02  0.102169D+02
      2   0.252711D+02 -0.149834D+02  0.189254D+02  0.899867D+01 -0.339050D+02
      3   0.158804D+02  0.310716D+01  0.120435D+02  0.311257D+02  0.236881D+02
      4   0.348884D+02 -0.150425D+02  0.333603D+02 -0.432930D+02 -0.431638D+02
      5  -0.277711D+02 -0.450989D+02 -0.345273D+02 -0.119558D+02  0.126577D+00
      6  -0.189205D+02 -0.895985D+01 -0.186579D+02  0.306031D+01  0.246336D-01
               236           237           238           239           240 
      1  -0.322645D+02 -0.649587D+01 -0.263170D+02 -0.193843D+02  0.220208D+02
      2   0.565189D+01  0.207379D+02  0.678982D+01  0.502832D+01 -0.219541D+02
      3   0.266127D+02 -0.142421D+02  0.195272D+02  0.143560D+02 -0.666727D-01
      4  -0.446441D+02  0.876514D+01 -0.386067D+02 -0.140136D+02 -0.225620D+01
      5   0.167582D+02  0.207688D+02  0.167025D+02 -0.808971D+01 -0.441798D+01
      6   0.152904D+02  0.177287D+02  0.119002D+02 -0.138225D+02 -0.129328D+01
               241           242           243           244           245 
      1  -0.677912D+01  0.208104D+02  0.335844D+02 -0.558518D+01  0.191338D+02
      2   0.184095D+02 -0.267941D+02 -0.108445D+02 -0.576359D+01 -0.177619D+02
      3  -0.116304D+02  0.598374D+01 -0.227399D+02  0.113488D+02 -0.137196D+01
      4   0.863330D+01 -0.253712D+01  0.121629D+02  0.276298D+02 -0.488383D+02
      5   0.205117D+02 -0.364353D+01  0.186601D+02 -0.411089D+01  0.311872D+01
      6   0.185661D+02 -0.476343D+01  0.236385D+02  0.710378D+01 -0.201932D+01
               246           247           248           249           250 
      1  -0.488207D+01 -0.895016D+02 -0.979082D+02  0.980690D+01  0.183123D+02
      2   0.237077D+01  0.767728D+02  0.711469D+02 -0.780531D+01 -0.133043D+02
      3   0.251130D+01  0.127288D+02  0.267613D+02 -0.200159D+01 -0.500797D+01
      4   0.352815D+01 -0.945207D+02 -0.154144D+03  0.177734D+02  0.127694D+02
      5  -0.283832D+02  0.897009D+01  0.141941D+02 -0.234702D+02 -0.905271D+01
      6  -0.811625D+01 -0.860650D+01 -0.518366D+01 -0.777982D+00  0.502707D+01
               251           252           253           254           255 
      1   0.141528D+02 -0.259915D+02 -0.212261D+02 -0.194134D+02 -0.507296D+00
      2  -0.739851D+01  0.126405D+02  0.198739D+02  0.112481D+02  0.293763D+01
      3  -0.675428D+01  0.133509D+02  0.135223D+01  0.816532D+01 -0.243034D+01
      4   0.197322D+02 -0.273176D+02 -0.274586D+02 -0.229512D+02  0.326309D+01
      5  -0.261516D+02  0.106636D+02  0.756363D+00  0.118195D+01 -0.130144D+02
      6   0.130126D+02 -0.224468D+01  0.337376D+00  0.307790D+01  0.860103D+01
               256           257           258           259           260 
      1   0.280251D+02  0.466768D+02 -0.919087D+01 -0.938389D+01 -0.187842D+01
      2  -0.399328D+02 -0.381786D+02  0.517399D+01  0.112794D+02 -0.259103D+01
      3   0.119077D+02 -0.849820D+01  0.401688D+01 -0.189553D+01  0.446946D+01
      4   0.522062D+02  0.127374D+02 -0.136468D+00 -0.550786D+01  0.965793D+01
      5  -0.959841D+01 -0.640100D+00 -0.489947D+01 -0.100205D+02  0.818929D+01
      6   0.964128D+01 -0.501742D+00 -0.764336D+01  0.751402D+01 -0.125507D+02
               261           262           263           264           265 
      1  -0.432296D+01  0.218514D+02  0.113642D+02 -0.107578D+02 -0.392804D+01
      2  -0.880980D+00 -0.113653D+02 -0.184976D+02  0.552168D+01 -0.388128D+00
      3   0.520394D+01 -0.104861D+02  0.713343D+01  0.523613D+01  0.431617D+01
      4   0.124475D+02 -0.982884D+01  0.377817D+02  0.817606D+01  0.738712D+01
      5   0.159315D+01 -0.127558D+02  0.279963D+01  0.109803D+02  0.408632D+01
      6  -0.237801D+00  0.111409D+02 -0.249307D+01 -0.788936D+01 -0.424161D+01
               266           267           268           269           270 
      1  -0.173446D+02 -0.312526D+01 -0.107034D+02 -0.165555D+02  0.171019D+00
      2   0.285210D+02  0.789377D+01  0.791246D+01  0.205990D+02  0.981569D+00
      3  -0.111764D+02 -0.476851D+01  0.279095D+01 -0.404350D+01 -0.115259D+01
      4  -0.351855D+02 -0.989412D+01  0.713764D+01 -0.304140D+02 -0.169014D+02
      5  -0.885632D+01 -0.466608D+01  0.140448D+02 -0.124895D+02 -0.280707D+02
      6   0.114918D+02  0.104952D+02 -0.115093D+02  0.174865D+02  0.271442D+02
               271           272           273           274           275 
      1  -0.363994D+02 -0.644673D+02  0.129358D+02  0.513850D+01 -0.941281D+01
      2   0.307145D+02  0.571817D+02 -0.781519D+01 -0.160364D+01  0.116035D+02
      3   0.568497D+01  0.728559D+01 -0.512057D+01 -0.353487D+01 -0.219067D+01
      4  -0.427654D+02 -0.810432D+00  0.309851D+01  0.189799D+02  0.212467D+01
      5   0.686741D+01  0.194357D+01  0.250562D+02 -0.200069D+01  0.292218D+00
      6  -0.839399D+01 -0.216001D+01  0.117008D+02  0.517451D+01 -0.225394D+01
               276           277           278           279           280 
      1   0.840655D+00 -0.334459D+00 -0.918425D+00 -0.856642D+01  0.318365D+02
      2  -0.202158D+00  0.209015D+01  0.277403D+01  0.449911D+01 -0.230204D+02
      3  -0.638497D+00 -0.175569D+01 -0.185560D+01  0.406731D+01 -0.881610D+01
      4  -0.660736D+00 -0.316998D+01 -0.296889D+01 -0.230480D+01 -0.124514D+02
      5  -0.203073D+01  0.915858D+00  0.196111D+01 -0.994261D-01  0.189401D+02
      6   0.372153D+01  0.511444D+01  0.886467D+01 -0.193209D+01 -0.104126D+02
               281           282           283           284           285 
      1   0.146853D+02  0.810924D+01  0.270611D+01 -0.433101D+01  0.532118D+01
      2  -0.189137D+02 -0.517431D+01 -0.549944D+01  0.864489D+01 -0.744975D+01
      3   0.422844D+01 -0.293492D+01  0.279333D+01 -0.431389D+01  0.212857D+01
      4   0.360400D+02 -0.160295D+02  0.946625D+01 -0.180596D+02  0.107584D+02
      5  -0.946153D+01  0.183207D+02 -0.137551D+01  0.108991D+02 -0.153635D+01
      6   0.756389D+01 -0.102642D+02  0.327691D+01 -0.941265D+01  0.757640D+01
               286           287           288           289           290 
      1   0.119488D+02  0.964699D+01  0.142832D+01 -0.222157D+02 -0.220215D+02
      2  -0.133849D+02 -0.894321D+01 -0.932018D+01  0.229969D+02  0.230401D+02
      3   0.143607D+01 -0.703779D+00  0.789186D+01 -0.781151D+00 -0.101858D+01
      4  -0.872003D+01  0.190752D+02 -0.167535D+02  0.739789D+01  0.850032D+01
      5   0.195954D+02 -0.109768D+02  0.312862D+02 -0.694833D+00 -0.971875D+00
      6  -0.113042D+02  0.133321D+02 -0.242596D+02 -0.554259D+01 -0.444626D+01
               291           292           293           294           295 
      1   0.539428D+01 -0.162693D+02 -0.489176D+02  0.828883D+01  0.397644D+01
      2  -0.347462D+01  0.218046D+02  0.639769D+02 -0.796248D+01 -0.252249D+01
      3  -0.191966D+01 -0.553523D+01 -0.150593D+02 -0.326351D+00 -0.145396D+01
      4  -0.206396D+01 -0.325361D+00 -0.172164D+02  0.325342D+01 -0.955365D+00
      5   0.153366D+00  0.523422D-02  0.295062D+01 -0.161793D+01 -0.165911D+01
      6   0.680641D+01 -0.377615D+01 -0.117634D+02  0.126345D+02  0.732035D+01
               296           297           298           299           300 
      1   0.815139D+01 -0.153719D+02 -0.222618D+02 -0.219633D+02 -0.537036D+01
      2  -0.591208D+01  0.124620D+02  0.230130D+02  0.229660D+02  0.346338D+01
      3  -0.223931D+01  0.290994D+01 -0.751145D+00 -0.100270D+01  0.190698D+01
      4   0.105324D+01 -0.209953D+01  0.742930D+01  0.845027D+01  0.201630D+01
      5  -0.610397D+01  0.301986D+01  0.719632D+00  0.907383D+00  0.231193D+00
      6   0.168499D+02 -0.963611D+01  0.556538D+01  0.445835D+01  0.682839D+01
               301           302           303           304           305 
      1  -0.161049D+02 -0.491518D+02 -0.834955D+01 -0.400863D+01 -0.819995D+01
      2   0.217365D+02  0.641561D+02  0.805003D+01  0.255554D+01  0.597524D+01
      3  -0.563164D+01 -0.150043D+02  0.299528D+00  0.145308D+01  0.222471D+01
      4  -0.478072D+00 -0.169676D+02 -0.322274D+01  0.944260D+00 -0.104150D+01
      5  -0.807716D-01 -0.293118D+01 -0.151247D+01 -0.167944D+01 -0.607255D+01
      6   0.379695D+01  0.118004D+02  0.126657D+02  0.734721D+01  0.168417D+02
               306           307           308           309           310 
      1  -0.153845D+02  0.316476D+02  0.148548D+02 -0.814091D+01  0.285089D+01
      2   0.124578D+02 -0.229655D+02 -0.189631D+02  0.519575D+01 -0.556468D+01
      3   0.292661D+01 -0.868209D+01  0.410827D+01  0.294517D+01  0.271379D+01
      4  -0.206836D+01 -0.121927D+02  0.357228D+02  0.161266D+02  0.936968D+01
      5  -0.301627D+01 -0.189764D+02  0.955089D+01  0.182895D+02  0.146281D+01
      6   0.965606D+01  0.104433D+02 -0.753926D+01 -0.102419D+02 -0.332390D+01
               311           312           313           314           315 
      1  -0.439776D+01 -0.524770D+01 -0.117844D+02 -0.968050D+01  0.142692D+01
      2   0.868614D+01  0.739517D+01  0.132976D+02  0.892585D+01 -0.933720D+01
      3  -0.428837D+01 -0.214747D+01 -0.151323D+01  0.754651D+00  0.791029D+01
      4  -0.180199D+02 -0.108923D+02  0.859897D+01 -0.189077D+02 -0.167771D+02
      5  -0.110298D+02 -0.159710D+01  0.196198D+02 -0.110135D+02 -0.312501D+02
      6   0.940302D+01  0.760580D+01 -0.113041D+02  0.133224D+02  0.242462D+02
               316           317           318           319           320 
      1   0.396614D+02  0.254985D+02  0.943834D+01  0.240878D+02  0.180668D+02
      2  -0.123643D+02 -0.313646D+00 -0.397185D+01  0.845662D+00  0.138739D+02
      3  -0.272970D+02 -0.251848D+02 -0.546649D+01 -0.249334D+02 -0.319406D+02
      4   0.494976D+02  0.532628D+02  0.140565D+02  0.552856D+02  0.726804D+02
      5   0.216532D+02  0.163751D+02  0.158366D+02  0.195502D+02  0.258317D+02
      6   0.141585D+02  0.142610D+02  0.772943D+01  0.163128D+02  0.238842D+02
               321           322           323           324           325 
      1   0.290659D+01  0.665293D+00 -0.195491D+01  0.379569D+00 -0.270293D+02
      2   0.132326D+01 -0.741877D+00 -0.960838D-01  0.146890D+01  0.118653D+02
      3  -0.422985D+01  0.765842D-01  0.205099D+01 -0.184847D+01  0.151640D+02
      4   0.219118D+02  0.234152D+01  0.967413D+01  0.130526D+02  0.202914D+01
      5   0.177124D+02  0.935358D+01  0.127565D+02  0.760373D+01  0.671686D+01
      6   0.141717D+02  0.420155D+01  0.960094D+01  0.657288D+01  0.114656D+02
               326           327           328           329           330 
      1   0.191960D+02  0.317468D+02  0.744385D+01 -0.101268D+02 -0.119065D+02
      2  -0.949466D+01 -0.804424D+01 -0.358175D+01  0.690341D+01  0.775133D+01
      3  -0.970132D+01 -0.237025D+02 -0.386210D+01  0.322343D+01  0.415514D+01
      4  -0.154910D+00 -0.176552D+01  0.393154D+01  0.923373D+01  0.886618D+01
      5  -0.551590D+01 -0.184157D+02 -0.107785D+01  0.964869D+01  0.687721D+01
      6  -0.939262D+01 -0.182820D+02 -0.266896D+01  0.108353D+02  0.117649D+02
               331           332           333           334           335 
      1   0.180810D+02 -0.166365D+02 -0.383828D+02  0.161644D+03  0.956704D+00
      2  -0.409260D+01  0.692177D+01  0.444760D+01 -0.953219D+02 -0.412425D+00
      3  -0.139884D+02  0.971471D+01  0.339352D+02 -0.663223D+02 -0.544279D+00
      4   0.774889D+00  0.742535D+01  0.576486D+01  0.603130D+01  0.140965D+02
      5  -0.634110D+01  0.109240D+02  0.300220D+02  0.673453D+02  0.106505D+01
      6  -0.930507D+01  0.147819D+02  0.248448D+02  0.204722D+01  0.338416D+01
               336           337           338           339           340 
      1   0.396390D+02  0.906184D+00  0.107560D+02 -0.114556D+00  0.221241D+02
      2  -0.282443D+02 -0.206756D-02 -0.493608D+01  0.804779D+00 -0.172563D+02
      3  -0.113948D+02 -0.904116D+00 -0.581990D+01 -0.690223D+00 -0.486782D+01
      4   0.988322D+00  0.167305D+02  0.432032D-01  0.598819D+01  0.205013D+00
      5   0.358605D+02 -0.321293D-01  0.700612D+01 -0.122093D+01  0.278063D+02
      6   0.211668D+01  0.389520D+01  0.122771D+01  0.338076D+01  0.228355D+01
               341           342           343           344           345 
      1  -0.961068D+00  0.193828D+02  0.533446D+01 -0.613709D+01  0.175932D+02
      2   0.239611D+01 -0.157198D+02 -0.672236D+01  0.441997D+00 -0.143191D+01
      3  -0.143505D+01 -0.366295D+01  0.138791D+01  0.569509D+01 -0.161612D+02
      4   0.691095D+00 -0.984961D+00 -0.381491D+01 -0.619903D+01  0.573266D+01
      5  -0.118846D+01  0.173747D+02  0.935483D+01  0.360613D+01 -0.119577D+02
      6   0.187142D+01  0.173612D+00 -0.133875D+01 -0.274020D+01  0.112531D+01
               346           347           348           349           350 
      1  -0.681468D+01 -0.108993D+02  0.787314D+01  0.104948D+02  0.715598D+01
      2   0.500420D+01  0.121838D+01  0.741935D+01 -0.604836D+01  0.599962D+01
      3   0.181048D+01  0.968092D+01 -0.152925D+02 -0.444648D+01 -0.131556D+02
      4  -0.513981D+00 -0.167062D+02  0.187639D+02 -0.232434D+01  0.156399D+02
      5  -0.503544D+01  0.162551D+02 -0.290325D+02  0.669700D+01 -0.219132D+02
      6  -0.203697D+00 -0.725066D+01  0.877737D+01 -0.870587D+00  0.744500D+01
               351           352           353           354           355 
      1  -0.225145D+02  0.430469D+02 -0.312688D+02 -0.446683D+01 -0.339121D+02
      2  -0.170840D+02 -0.189379D+02  0.151200D+02  0.215851D+01  0.134589D+02
      3   0.395985D+02 -0.241090D+02  0.161488D+02  0.230832D+01  0.204531D+02
      4  -0.243124D+02 -0.376176D+02  0.261195D+02  0.438721D+01  0.359349D+02
      5   0.564524D+02 -0.523310D+01  0.407403D+01  0.115314D+02  0.443767D+01
      6  -0.818919D+01  0.146330D+01 -0.109789D+01 -0.976779D+00 -0.179001D+01
               356           357           358           359           360 
      1   0.172724D+02  0.345852D+01 -0.628215D+01  0.534676D+01  0.109352D+02
      2   0.244141D+01 -0.109642D+01  0.321438D+01 -0.278207D+01 -0.700465D+01
      3  -0.197138D+02 -0.236209D+01  0.306776D+01 -0.256468D+01 -0.393050D+01
      4  -0.604699D+02 -0.628398D+01  0.686999D+01 -0.566915D+01 -0.102553D+02
      5  -0.545581D+01 -0.655052D+01  0.174595D+02 -0.955753D+01 -0.564663D+01
      6   0.101986D+01  0.369938D+01 -0.195822D+01  0.508126D+01  0.104315D+01
               361           362           363           364           365 
      1  -0.509671D+02 -0.196948D+02 -0.140896D+02 -0.192681D+02 -0.127043D+02
      2   0.228166D+02  0.110948D+02 -0.417021D+01  0.981393D+01  0.464948D+01
      3   0.281505D+02  0.859993D+01  0.182598D+02  0.945417D+01  0.805479D+01
      4  -0.215683D+02 -0.912882D+01  0.437355D+00 -0.716265D+01 -0.625132D+01
      5   0.213341D+02  0.109821D+02 -0.982362D+01  0.968503D+01 -0.140713D+01
      6   0.748810D+01  0.548707D+01  0.396314D+00  0.397648D+01  0.363005D+01
               366           367           368           369           370 
      1  -0.214455D+01 -0.475864D+01 -0.356454D+00 -0.117894D+02 -0.167375D+01
      2  -0.342972D+01 -0.350482D+01 -0.254685D+01  0.440383D+01 -0.221885D+01
      3   0.557427D+01  0.826346D+01  0.290330D+01  0.738562D+01  0.389260D+01
      4  -0.623156D+01  0.157370D+01 -0.305690D+01 -0.408295D+01  0.337533D+01
      5  -0.480168D+01 -0.503590D+01 -0.362612D+01  0.494272D+01 -0.944728D+01
      6   0.577166D+01  0.536179D+00  0.342589D+01  0.104297D+01 -0.389399D+01
               371           372           373           374           375 
      1   0.456243D+01 -0.968324D+01  0.472527D+01 -0.131476D+02  0.186932D+02
      2  -0.155415D+01  0.654969D+01 -0.402588D+01  0.341666D+01  0.598814D+01
      3  -0.300827D+01  0.313355D+01 -0.699389D+00  0.973092D+01 -0.246814D+02
      4   0.459023D+01 -0.134357D+01  0.989540D+01  0.305858D+02 -0.255725D+02
      5  -0.154478D+01  0.117505D+02 -0.905253D+01 -0.272049D+02  0.381715D+02
      6  -0.147175D+01  0.164517D+00 -0.618516D+01 -0.270224D+02  0.278291D+02
               376           377           378           379           380 
      1  -0.605983D+01  0.129838D+02 -0.182375D+02  0.326533D+02 -0.171446D+02
      2   0.755634D+01  0.320080D+01 -0.142113D+02 -0.271941D+02  0.141294D+02
      3  -0.149651D+01 -0.161846D+02  0.324489D+02 -0.545920D+01  0.301521D+01
      4  -0.418390D+01 -0.185702D+02  0.224656D+02 -0.210163D+02  0.179426D+02
      5   0.149513D+02  0.228623D+02 -0.456510D+02 -0.384882D+02  0.213249D+02
      6   0.346366D+01  0.205800D+02 -0.260222D+02  0.100239D+02 -0.893136D+01
               381           382           383           384           385 
      1  -0.177129D+02 -0.243285D+02  0.110024D+02  0.105331D+02 -0.983506D+01
      2   0.230170D+02  0.200614D+02 -0.135427D+02 -0.189674D+02  0.157167D+02
      3  -0.530411D+01  0.426707D+01  0.254036D+01  0.843428D+01 -0.588165D+01
      4   0.149494D+02  0.227672D+02 -0.287166D+02 -0.255309D+02  0.970657D+01
      5   0.402176D+02  0.306260D+02 -0.300656D+02 -0.338705D+02  0.287337D+02
      6  -0.681753D+01 -0.116710D+02  0.146241D+02  0.161614D+02 -0.544043D+01
               386           387           388           389           390 
      1   0.454693D+01  0.908851D+01  0.436802D+02  0.962686D+01  0.235343D+02
      2  -0.917574D+01 -0.218184D+02 -0.183216D+02 -0.821980D+00 -0.805793D+01
      3   0.462881D+01  0.127299D+02 -0.253585D+02 -0.880488D+01 -0.154764D+02
      4  -0.143472D+02 -0.137204D+02  0.161447D+02  0.146037D+02  0.142406D+02
      5  -0.162501D+02 -0.381087D+02  0.197002D+02  0.102967D+02  0.204529D+02
      6   0.101378D+02  0.806886D+01  0.570761D+01  0.227882D+01  0.426703D+01
               391           392           393           394           395 
      1   0.105491D+02  0.139563D+02  0.118127D+02  0.480415D+02  0.175208D+02
      2   0.533189D+00 -0.114080D+01 -0.208049D+01 -0.184239D+02 -0.352076D+01
      3  -0.110823D+02 -0.128155D+02 -0.973218D+01 -0.296176D+02 -0.140001D+02
      4   0.214836D+02  0.207373D+02  0.100061D+02  0.247512D+02  0.168574D+02
      5   0.111221D+02  0.676448D+01  0.153504D+02  0.224122D+02  0.150500D+02
      6   0.128018D+01  0.148538D+01  0.648127D+01  0.505326D+01  0.544203D+01
               396           397           398           399           400 
      1   0.237674D+02  0.110887D+03 -0.325484D+02 -0.307603D+02 -0.838281D+02
      2  -0.620033D+01 -0.666526D+02  0.203861D+02  0.217088D+02  0.513643D+02
      3  -0.175670D+02 -0.442348D+02  0.121623D+02  0.905151D+01  0.324638D+02
      4   0.198481D+02 -0.230975D+02  0.179041D+02  0.710791D+01  0.280472D+02
      5   0.476596D+02 -0.413883D+02  0.120831D+02  0.266321D+02  0.332729D+02
      6   0.112114D+02  0.289666D+01 -0.232651D+01  0.731387D+00 -0.454935D+01
               401           402           403           404           405 
      1   0.301786D+02  0.251686D+02 -0.386805D+02  0.108600D+02  0.276014D+02
      2  -0.198830D+02 -0.191346D+02  0.277797D+02 -0.941816D+01 -0.203002D+02
      3  -0.102956D+02 -0.603403D+01  0.109008D+02 -0.144180D+01 -0.730119D+01
      4  -0.251395D+02 -0.146786D+02  0.687404D+01 -0.125556D+02 -0.281782D+01
      5  -0.181146D+02 -0.198531D+02  0.374544D+02 -0.605143D+01 -0.243905D+02
      6   0.356926D+01  0.372456D+01  0.159501D+01  0.437184D+01 -0.318756D+00
               406           407           408           409           410 
      1   0.111917D+02  0.691666D+01 -0.126635D+02  0.179053D+02  0.763198D+01
      2  -0.535226D+01 -0.145027D+01  0.672657D+01 -0.344912D+01  0.987661D+01
      3  -0.583941D+01 -0.546639D+01  0.593690D+01 -0.144562D+02 -0.175086D+02
      4   0.103971D+02  0.119515D+02 -0.625684D+01  0.377935D+02  0.630159D+02
      5  -0.139252D+02 -0.528891D+01  0.103946D+02 -0.194228D+02 -0.377255D+02
      6  -0.559695D+01 -0.277940D+01  0.235114D+01 -0.119831D+02 -0.250214D+02
               411           412           413           414           415 
      1   0.695425D+00 -0.258396D+02 -0.876454D-01  0.731658D+01 -0.305647D+02
      2  -0.374343D+01  0.144174D+02 -0.343782D+01 -0.621639D+01  0.316438D+02
      3   0.304800D+01  0.114223D+02  0.352546D+01 -0.110019D+01 -0.107914D+01
      4  -0.369028D+02 -0.220729D+02 -0.379990D+02  0.347493D+02 -0.364931D+01
      5   0.338406D+02  0.304667D+02  0.342310D+02 -0.410994D+02  0.816056D+01
      6   0.196976D+02  0.112384D+02  0.201806D+02 -0.202459D+02  0.730160D+01
               416           417           418           419           420 
      1   0.330585D+02  0.102811D+02  0.205515D+02 -0.316797D+02 -0.113885D+02
      2  -0.354518D+02 -0.120938D+02 -0.213208D+02  0.428705D+02  0.137529D+02
      3   0.239328D+01  0.181263D+01  0.769279D+00 -0.111907D+02 -0.236436D+01
      4   0.755798D+00  0.169619D+01  0.445236D+01  0.104738D+02  0.336370D+01
      5  -0.694788D+01 -0.845643D+01 -0.561241D+01  0.951586D+01  0.405268D+01
      6  -0.552284D+01 -0.113578D+02 -0.490756D+01  0.828798D+01  0.722927D+01
               421           422           423           424           425 
      1   0.163031D+02 -0.222184D+02 -0.184185D+02  0.291888D+02  0.116533D+02
      2  -0.159949D+02  0.286431D+02  0.151197D+02  0.531280D+01  0.217487D+02
      3  -0.308176D+00 -0.642472D+01  0.329878D+01 -0.345016D+02 -0.334020D+02
      4   0.345947D+01  0.100014D+02 -0.626924D+00  0.584130D+02  0.620396D+02
      5  -0.842736D+01  0.802943D+01  0.865272D+01 -0.985676D+01 -0.107509D+02
      6  -0.106571D+02  0.111080D+02  0.110575D+02 -0.530841D+01 -0.953075D+01
               426           427           428           429           430 
      1   0.141945D+00  0.114964D+02 -0.186927D+00 -0.172937D+01  0.182244D+01
      2  -0.339263D+01  0.126787D+02  0.354137D+02 -0.639868D+00 -0.248458D+01
      3   0.325068D+01 -0.241751D+02 -0.352267D+02  0.236924D+01  0.662144D+00
      4  -0.805246D+01  0.450011D+02  0.638603D+02 -0.664613D+01 -0.304320D+01
      5   0.804206D+01 -0.823244D+01 -0.748472D+01  0.734189D+01  0.667140D+01
      6   0.677726D+01 -0.663664D+01 -0.877501D+01  0.750975D+01  0.529130D+01
               431           432           433           434           435 
      1  -0.239535D+01 -0.106873D+01 -0.139543D+02  0.123396D+02 -0.152426D+02
      2   0.323191D+01  0.324307D+01  0.764136D+01 -0.943475D+01  0.294446D+01
      3  -0.836553D+00 -0.217435D+01  0.631294D+01 -0.290489D+01  0.122982D+02
      4  -0.178093D+01  0.101530D+02 -0.125657D+01  0.112395D+01 -0.488869D+01
      5   0.957671D+01 -0.506031D+01 -0.383070D+01  0.940709D+00 -0.800972D+01
      6   0.978473D+01 -0.513384D+01 -0.842558D+01  0.464312D+01 -0.145650D+02
               436           437           438           439           440 
      1   0.250781D+01 -0.592279D+01  0.375217D+01 -0.137720D+02  0.168068D+02
      2  -0.257149D+01  0.272506D+01 -0.599257D+01  0.332619D+01 -0.142976D+02
      3   0.636721D-01  0.319773D+01  0.224041D+01  0.104458D+02 -0.250914D+01
      4   0.524450D+00 -0.220672D+01 -0.498897D+01 -0.538120D+01 -0.991288D+01
      5  -0.112857D+01 -0.497011D+01  0.123400D+01 -0.435396D+01  0.105650D+02
      6   0.640875D+00 -0.545773D+01  0.680879D+01 -0.110885D+02  0.184435D+02
               441           442           443           444           445 
      1  -0.357413D+02 -0.172337D+01  0.460732D+01  0.961774D+01  0.459743D+01
      2   0.378312D+01 -0.217137D+01 -0.156022D+01 -0.648643D+01 -0.393385D+01
      3   0.319582D+02  0.389473D+01 -0.304709D+01 -0.313131D+01 -0.663585D+00
      4  -0.219857D+00  0.336735D+01  0.448825D+01  0.126070D+01  0.985264D+01
      5  -0.350918D+02  0.935857D+01  0.148292D+01  0.116399D+02  0.897423D+01
      6  -0.411398D+02  0.386596D+01  0.140927D+01  0.867691D-01  0.613492D+01
               446           447           448           449           450 
      1  -0.131944D+02 -0.187562D+02  0.579156D+01 -0.127657D+02 -0.182880D+02
      2   0.347804D+01 -0.598880D+01 -0.738054D+01 -0.324793D+01 -0.141823D+02
      3   0.971636D+01  0.247450D+02  0.158898D+01  0.160136D+02  0.324703D+02
      4   0.305753D+02  0.254479D+02  0.438430D+01  0.182814D+02  0.223853D+02
      5   0.270566D+02  0.380927D+02  0.148169D+02  0.227511D+02  0.454570D+02
      6   0.270093D+02  0.278330D+02  0.347211D+01  0.205446D+02  0.260383D+02
               451           452           453           454           455 
      1  -0.509766D+02 -0.195917D+02  0.139795D+02 -0.193196D+02 -0.126460D+02
      2   0.228264D+02  0.110528D+02  0.420251D+01  0.980940D+01  0.463460D+01
      3   0.281503D+02  0.853892D+01 -0.181820D+02  0.951020D+01  0.801139D+01
      4  -0.215039D+02 -0.921575D+01 -0.438858D+00 -0.715441D+01 -0.628773D+01
      5  -0.214098D+02 -0.109883D+02 -0.984336D+01 -0.974164D+01  0.140601D+01
      6  -0.747011D+01 -0.547471D+01  0.382815D+00 -0.399902D+01 -0.359314D+01
               456           457           458           459           460 
      1   0.207722D+01  0.473608D+01  0.177721D+00 -0.116946D+02  0.328403D+02
      2   0.349394D+01  0.353345D+01  0.264547D+01  0.436505D+01 -0.272734D+02
      3  -0.557117D+01 -0.826954D+01 -0.282319D+01  0.732957D+01 -0.556688D+01
      4   0.622112D+01 -0.168683D+01  0.310824D+01 -0.416814D+01 -0.211937D+02
      5  -0.480308D+01 -0.501963D+01 -0.374431D+01 -0.502399D+01  0.383211D+02
      6   0.571495D+01  0.474751D+00  0.341673D+01 -0.104447D+01 -0.100112D+02
               461           462           463           464           465 
      1  -0.172732D+02  0.175892D+02 -0.241390D+02  0.108486D+02 -0.104636D+02
      2   0.142019D+02 -0.229959D+02  0.199803D+02 -0.134782D+02  0.189957D+02
      3   0.307134D+01  0.540670D+01  0.415863D+01  0.262963D+01 -0.853216D+01
      4   0.180586D+02 -0.148421D+02  0.226522D+02 -0.286086D+02  0.256069D+02
      5  -0.212142D+02  0.402805D+02 -0.305762D+02  0.301129D+02 -0.339565D+02
      6   0.889069D+01 -0.687380D+01  0.116790D+02 -0.145953D+02  0.161536D+02
               466           467           468           469           470 
      1   0.962214D+01 -0.439099D+01  0.901999D+01  0.108515D+02  0.711551D+01
      2  -0.156554D+02  0.917732D+01 -0.218939D+02 -0.518062D+01 -0.154843D+01
      3   0.603330D+01 -0.478633D+01  0.128739D+02 -0.567091D+01 -0.556708D+01
      4  -0.962476D+01  0.142764D+02 -0.137692D+02  0.105735D+02  0.116790D+02
      5   0.287962D+02 -0.163112D+02  0.383076D+02  0.139858D+02  0.517371D+01
      6  -0.546083D+01  0.101838D+02 -0.817789D+01  0.551966D+01  0.276406D+01
               471           472           473           474           475 
      1   0.126682D+02  0.178722D+02  0.762284D+01 -0.703339D+00  0.258317D+02
      2  -0.671325D+01 -0.345078D+01  0.987740D+01  0.375639D+01 -0.144080D+02
      3  -0.595498D+01 -0.144214D+02 -0.175002D+02 -0.305305D+01 -0.114237D+02
      4   0.616847D+01  0.377952D+02  0.628828D+02  0.368576D+02  0.219579D+02
      5   0.103492D+02  0.195320D+02  0.376887D+02  0.338109D+02  0.305100D+02
      6   0.228918D+01  0.119365D+02  0.250531D+02  0.197160D+02  0.112255D+02
               476           477           478           479           480 
      1   0.809467D-02  0.733125D+01  0.110267D+03 -0.321733D+02  0.309516D+02
      2   0.343515D+01 -0.622552D+01 -0.663545D+02  0.202365D+02 -0.218807D+02
      3  -0.344324D+01 -0.110573D+01 -0.439125D+02  0.119368D+02 -0.907082D+01
      4   0.379821D+02  0.347622D+02 -0.227962D+02  0.176810D+02 -0.716806D+01
      5   0.342165D+02  0.411269D+02  0.415639D+02 -0.121750D+02  0.266713D+02
      6   0.201759D+02  0.202763D+02 -0.285697D+01  0.231488D+01  0.698219D+00
               481           482           483           484           485 
      1  -0.839551D+02  0.303157D+02 -0.252156D+02  0.389601D+02 -0.110347D+02
      2   0.514123D+02 -0.199442D+02  0.192467D+02 -0.279331D+02  0.948342D+01
      3   0.325428D+02 -0.103715D+02  0.596881D+01 -0.110270D+02  0.155127D+01
      4   0.282461D+02 -0.253248D+02  0.146965D+02 -0.707084D+01  0.127281D+02
      5  -0.333496D+02  0.181429D+02 -0.199879D+02  0.375909D+02 -0.615441D+01
      6   0.455916D+01 -0.357592D+01  0.375604D+01  0.162693D+01  0.438126D+01
               486           487           488           489           490 
      1   0.276791D+02  0.439753D+02  0.946892D+01 -0.237927D+02  0.105817D+02
      2  -0.204206D+02 -0.182984D+02 -0.745350D+00  0.816809D+01  0.542223D+00
      3  -0.725853D+01 -0.256769D+02 -0.872357D+01  0.156246D+02 -0.111240D+02
      4  -0.290416D+01  0.160522D+02  0.148855D+02 -0.143339D+02  0.214814D+02
      5   0.245256D+02 -0.199450D+02 -0.103613D+02  0.204525D+02 -0.111346D+02
      6   0.291771D+00 -0.576893D+01 -0.225904D+01  0.423776D+01 -0.128961D+01
               491           492           493           494           495 
      1   0.139535D+02 -0.119104D+02 -0.481207D+02 -0.175856D+02  0.237612D+02
      2  -0.115214D+01  0.210871D+01  0.184655D+02  0.356245D+01 -0.619557D+01
      3  -0.128014D+02  0.980164D+01  0.296552D+02  0.140232D+02 -0.175656D+02
      4   0.206787D+02 -0.100149D+02 -0.247957D+02 -0.167308D+02  0.198367D+02
      5  -0.672286D+01  0.152516D+02  0.223322D+02  0.150394D+02 -0.475594D+02
      6  -0.146090D+01  0.646846D+01  0.503440D+01  0.543016D+01 -0.111702D+02
               496           497           498           499           500 
      1   0.161610D+03  0.942789D+00 -0.395697D+02  0.943142D+00  0.107493D+02
      2  -0.953247D+02 -0.388289D+00  0.281906D+02 -0.299478D-01 -0.498158D+01
      3  -0.662854D+02 -0.554500D+00  0.113791D+02 -0.913194D+00 -0.576774D+01
      4   0.600628D+01  0.139000D+02 -0.874481D+00  0.166366D+02  0.124113D+00
      5  -0.672560D+02 -0.931190D+00  0.357898D+02  0.700078D-01 -0.702017D+01
      6  -0.200440D+01 -0.336461D+01  0.207984D+01 -0.390203D+01 -0.122474D+01
               501           502           503           504           505 
      1   0.152116D+00 -0.214790D+02  0.580312D+00  0.192811D+02  0.517900D+01
      2  -0.837156D+00  0.169665D+02 -0.225111D+01 -0.156623D+02 -0.664709D+01
      3   0.685040D+00  0.451248D+01  0.167080D+01 -0.361879D+01  0.146809D+01
      4  -0.599133D+01 -0.663656D+00 -0.247496D+00 -0.993738D+00 -0.368809D+01
      5  -0.121486D+01  0.276032D+02 -0.122280D+01 -0.171476D+02 -0.934797D+01
      6   0.337280D+01  0.220814D+01  0.182692D+01 -0.168905D+00  0.135139D+01
               506           507           508           509           510 
      1  -0.604163D+01 -0.175197D+02 -0.714735D+01 -0.105853D+02 -0.782461D+01
      2   0.455489D+00  0.146973D+01  0.513290D+01  0.110518D+01 -0.739653D+01
      3   0.558614D+01  0.160499D+02  0.201445D+01  0.948016D+01  0.152211D+02
      4  -0.628081D+01 -0.570919D+01 -0.144787D+00 -0.169749D+02 -0.187604D+02
      5  -0.357466D+01 -0.119138D+02  0.506210D+01 -0.162716D+02 -0.290024D+02
      6   0.273407D+01  0.110779D+01  0.204973D+00  0.725298D+01  0.879796D+01
               511           512           513           514           515 
      1  -0.101034D+02 -0.723196D+01 -0.224311D+02 -0.270886D+02  0.193131D+02
      2   0.589853D+01 -0.599896D+01 -0.171646D+02  0.118956D+02 -0.953948D+01
      3   0.420487D+01  0.132309D+02  0.395957D+02  0.151930D+02 -0.977361D+01
      4   0.219457D+01 -0.155168D+02 -0.243518D+02  0.218567D+01 -0.234124D+00
      5   0.676702D+01 -0.219702D+02 -0.564943D+02 -0.675310D+01  0.552354D+01
      6  -0.855891D+00  0.743583D+01  0.821744D+01 -0.114663D+02  0.937791D+01
               516           517           518           519           520 
      1  -0.317843D+02  0.754068D+01 -0.102867D+02  0.119004D+02 -0.181073D+02
      2   0.804553D+01 -0.359845D+01  0.695962D+01 -0.777537D+01  0.411589D+01
      3   0.237388D+02 -0.394222D+01  0.332712D+01 -0.412500D+01  0.139914D+02
      4   0.177999D+01  0.378503D+01  0.934054D+01 -0.888802D+01 -0.743994D+00
      5  -0.184855D+02  0.105644D+01 -0.965121D+01  0.690740D+01 -0.624457D+01
      6  -0.182909D+02  0.268735D+01 -0.108757D+02  0.117609D+02 -0.930832D+01
               521           522           523           524           525 
      1   0.167281D+02 -0.383548D+02  0.399470D+02  0.254384D+02 -0.944637D+01
      2  -0.697151D+01  0.439973D+01 -0.125010D+02 -0.301445D+00  0.399293D+01
      3  -0.975663D+01  0.339551D+02 -0.274460D+02 -0.251369D+02  0.545344D+01
      4  -0.748733D+01  0.576964D+01  0.494402D+02  0.533256D+02 -0.140614D+02
      5   0.109097D+02 -0.300975D+02 -0.216305D+02 -0.163840D+02  0.158412D+02
      6   0.147944D+02 -0.248835D+02 -0.141679D+02 -0.142255D+02  0.774403D+01
               526           527           528           529           530 
      1   0.245464D+02  0.179862D+02 -0.294522D+01 -0.748354D+00  0.201979D+01
      2   0.598284D+00  0.138341D+02 -0.131067D+01  0.816585D+00  0.695235D-01
      3  -0.251446D+02 -0.318203D+02  0.425590D+01 -0.682312D-01 -0.208932D+01
      4   0.551333D+02  0.727546D+02 -0.218333D+02 -0.233454D+01 -0.965321D+01
      5  -0.195605D+02 -0.257707D+02  0.177067D+02  0.941184D+01  0.126304D+02
      6  -0.162786D+02 -0.238476D+02  0.141682D+02  0.417018D+01  0.960803D+01
               531           532           533           534           535 
      1   0.464369D+00  0.429751D+02 -0.313194D+02  0.448129D+01 -0.337660D+02
      2   0.147233D+01 -0.188618D+02  0.151754D+02 -0.213333D+01  0.133463D+02
      3  -0.193670D+01 -0.241133D+02  0.161440D+02 -0.234796D+01  0.204196D+02
      4   0.129196D+02 -0.376052D+02  0.261402D+02 -0.436551D+01  0.359632D+02
      5  -0.765001D+01  0.521237D+01 -0.405391D+01  0.115598D+02 -0.456767D+01
      6  -0.658075D+01 -0.146968D+01  0.107881D+01 -0.979643D+00  0.181570D+01
               536           537           538           539           540 
      1   0.173911D+02 -0.352432D+01  0.683576D+01 -0.582482D+01  0.107717D+02
      2   0.238441D+01  0.114935D+01 -0.342096D+01  0.295009D+01 -0.692724D+01
      3  -0.197755D+02  0.237498D+01 -0.341479D+01  0.287473D+01 -0.384451D+01
      4  -0.605553D+02  0.638202D+01 -0.743725D+01  0.623788D+01 -0.100625D+02
      5   0.556063D+01 -0.653894D+01  0.172221D+02 -0.935078D+01  0.576238D+01
      6  -0.102412D+01  0.369298D+01 -0.194346D+01  0.508256D+01 -0.106568D+01
               541           542           543           544           545 
      1   0.291826D+02  0.116960D+02 -0.131399D+00  0.116818D+02 -0.223619D+00
      2   0.534334D+01  0.217504D+02  0.342126D+01  0.126573D+02  0.353633D+02
      3  -0.345260D+02 -0.334464D+02 -0.328986D+01 -0.243391D+02 -0.351397D+02
      4   0.584783D+02  0.620672D+02  0.807482D+01  0.449639D+02  0.640613D+02
      5   0.986065D+01  0.107640D+02  0.804141D+01  0.812211D+01  0.746931D+01
      6   0.529659D+01  0.957705D+01  0.683685D+01  0.663806D+01  0.875346D+01
               546           547           548           549           550 
      1   0.168947D+01 -0.188110D+01  0.246261D+01 -0.108793D+01 -0.302382D+02
      2   0.617130D+00  0.253644D+01 -0.318965D+01  0.328130D+01  0.314570D+02
      3  -0.230660D+01 -0.655337D+00  0.727042D+00 -0.219337D+01 -0.121877D+01
      4   0.665130D+01  0.322410D+01  0.181607D+01  0.101584D+02 -0.371388D+01
      5   0.733689D+01  0.667182D+01  0.960217D+01  0.509003D+01 -0.810007D+01
      6   0.750827D+01  0.531310D+01  0.983718D+01  0.518245D+01 -0.731940D+01
               551           552           553           554           555 
      1   0.329452D+02 -0.102510D+02  0.204828D+02 -0.317860D+02  0.113645D+02
      2  -0.354293D+02  0.121035D+02 -0.212374D+02  0.430082D+02 -0.138011D+02
      3   0.248401D+01 -0.185241D+01  0.754578D+00 -0.112221D+02  0.243669D+01
      4   0.887763D+00 -0.170506D+01  0.437721D+01  0.105447D+02 -0.331537D+01
      5   0.693149D+01 -0.847143D+01  0.561312D+01 -0.946542D+01  0.406445D+01
      6   0.556767D+01 -0.113748D+02  0.498226D+01 -0.834114D+01  0.725631D+01
               556           557           558           559           560 
      1  -0.162706D+02  0.222650D+02 -0.184566D+02 -0.139912D+02  0.124243D+02
      2   0.159974D+02 -0.286947D+02  0.151880D+02  0.765654D+01 -0.950994D+01
      3   0.273258D+00  0.642965D+01  0.326857D+01  0.633470D+01 -0.291440D+01
      4  -0.346403D+01 -0.100172D+02 -0.580056D+00 -0.127879D+01  0.112416D+01
      5  -0.841875D+01  0.807525D+01 -0.873743D+01  0.388842D+01 -0.972663D+00
      6  -0.106635D+02  0.111493D+02 -0.111577D+02  0.844374D+01 -0.467090D+01
               561           562           563           564           565 
      1   0.153245D+02  0.264459D+01 -0.602869D+01 -0.385335D+01  0.138329D+02
      2  -0.302758D+01 -0.263731D+01  0.275483D+01  0.604385D+01 -0.334199D+01
      3  -0.122969D+02 -0.728000D-02  0.327387D+01 -0.219050D+01 -0.104909D+02
      4   0.488339D+01  0.483063D+00 -0.218127D+01  0.502994D+01  0.536925D+01
      5  -0.798333D+01  0.108034D+01  0.502063D+01  0.127116D+01 -0.440702D+01
      6  -0.145716D+02 -0.652608D+00  0.548586D+01  0.682277D+01 -0.111178D+02
               566           567 
      1  -0.168498D+02 -0.357475D+02
      2   0.143307D+02  0.384918D+01
      3   0.251915D+01  0.318984D+02
      4   0.999563D+01 -0.212620D+00
      5   0.105814D+02  0.350528D+02
      6   0.184310D+02  0.410833D+02
 Leave Link  716 at Sun Aug 29 04:47:31 2021, MaxMem= 16106127360 cpu:               8.0 elap:               1.2
 (Enter /util/academic/gaussian/g16.A03/x86-64-SSE4_2/g16/l9999.exe)
 AllDun F.D. properties on file 20721 Mask=       B NFrqRd=     1 NDeriv=     1 ND12= 1 LenFil=      39:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) frequency  1    0.085645:
                 1             2             3 
      1   0.403253D+03  0.352500D+02  0.636003D-02
      2   0.352500D+02  0.342698D+03 -0.280380D-02
      3   0.636003D-02 -0.280380D-02  0.254991D+03
 Property number 2 -- FD Optical Rotation Tensor frequency  1    0.085645:
                 1             2             3 
      1  -0.123502D+02  0.227900D+02  0.397972D-01
      2   0.698216D+01  0.468508D+02  0.253618D-01
      3   0.238719D-01  0.411281D-02 -0.509473D+02
 Property number 4 -- D-Q polarizability frequency  1    0.085645:
                 1             2             3 
      1   0.210180D+00  0.361734D-01 -0.811452D-01
      2  -0.142204D+00  0.774678D-02 -0.112315D+03
      3  -0.679764D-01 -0.439202D-01  0.112397D+03
      4  -0.328264D-01 -0.590864D-01  0.892476D+02
      5   0.143328D+03  0.902531D+02  0.342835D-01
      6   0.133136D+02  0.507098D+02 -0.117463D+00
 AllDun F.D. properties on file 20722 Mask=       B NFrqRd=     1 NDeriv=   189 ND12= 1 LenFil=    6807:
 Frequencies=    0.085645
 Property number 1 -- Alpha(-w,w) derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.826316D+01 -0.927985D+00  0.178271D+01 -0.348528D+00  0.230482D+01
      2  -0.927985D+00  0.572936D+00  0.545033D+00  0.230482D+01 -0.764121D+00
      3   0.178271D+01  0.545033D+00  0.201665D+01 -0.164887D+00  0.362177D+00
                 6             7             8             9            10 
      1  -0.164887D+00 -0.164226D+01 -0.858358D+00  0.241556D+01 -0.253273D+01
      2   0.362177D+00 -0.858358D+00 -0.105034D+01  0.356602D+01  0.126033D+00
      3   0.356875D+01  0.241556D+01  0.356602D+01  0.347061D+00 -0.293913D+00
                11            12            13            14            15 
      1   0.126033D+00 -0.293913D+00  0.839277D+00 -0.463750D+01  0.117368D+01
      2  -0.332594D+01  0.101653D+01 -0.463750D+01 -0.682707D+00 -0.215583D+01
      3   0.101653D+01 -0.200839D+01  0.117368D+01 -0.215583D+01 -0.445134D+01
                16            17            18            19            20 
      1   0.916954D+00  0.121535D+01 -0.424371D+01  0.153669D+02  0.670655D+01
      2   0.121535D+01  0.318169D+00 -0.302629D+01  0.670655D+01  0.112117D+02
      3  -0.424371D+01 -0.302629D+01  0.319904D+00  0.274362D+00  0.995845D+00
                21            22            23            24            25 
      1   0.274362D+00  0.197855D+01  0.403377D+01 -0.182664D+00  0.627015D-01
      2   0.995845D+00  0.403377D+01  0.162390D+02  0.226016D+01  0.202684D+00
      3   0.153777D+01 -0.182664D+00  0.226016D+01  0.171539D+01  0.380510D+01
                26            27            28            29            30 
      1   0.202684D+00  0.380510D+01 -0.946060D+01  0.613507D+00 -0.350238D+00
      2   0.196207D+01  0.195612D+01  0.613507D+00  0.989719D+01  0.547025D+00
      3   0.195612D+01  0.816716D+00 -0.350238D+00  0.547025D+00 -0.504153D+00
                31            32            33            34            35 
      1   0.598005D+01  0.571147D+01 -0.400932D+00  0.121587D+01 -0.625635D+00
      2   0.571147D+01  0.308909D+01 -0.355115D-01 -0.625635D+00  0.105932D+01
      3  -0.400932D+00 -0.355115D-01  0.202961D+00  0.156479D+01  0.264441D+01
                36            37            38            39            40 
      1   0.156479D+01 -0.981167D+00  0.186885D+01 -0.608704D+00  0.952102D+01
      2   0.264441D+01  0.186885D+01  0.629948D+00  0.226485D+01  0.211709D+01
      3   0.836890D+00 -0.608704D+00  0.226485D+01 -0.340607D+01  0.254887D+01
                41            42            43            44            45 
      1   0.211709D+01  0.254887D+01  0.106777D+01  0.506194D+01 -0.540019D+01
      2  -0.110949D+01 -0.179718D+01  0.506194D+01 -0.600199D+00 -0.140569D+01
      3  -0.179718D+01  0.177818D+01 -0.540019D+01 -0.140569D+01  0.270278D+01
                46            47            48            49            50 
      1  -0.332683D+00 -0.372690D+01  0.181724D+01 -0.515288D+01 -0.526019D+01
      2  -0.372690D+01 -0.370004D+01 -0.434477D+00 -0.526019D+01  0.350833D+00
      3   0.181724D+01 -0.434477D+00  0.344746D+01  0.471522D+00  0.227932D+01
                51            52            53            54            55 
      1   0.471522D+00 -0.267445D+01 -0.329670D+01  0.491982D+01 -0.149360D+01
      2   0.227932D+01 -0.329670D+01 -0.235814D+00 -0.311517D+00 -0.524880D+01
      3  -0.975138D+00  0.491982D+01 -0.311517D+00 -0.182662D+01  0.163490D+01
                56            57            58            59            60 
      1  -0.524880D+01  0.163490D+01 -0.829983D+01  0.948882D+00 -0.198957D+01
      2  -0.270998D+00 -0.180565D+01  0.948882D+00  0.187689D+01  0.342068D+01
      3  -0.180565D+01  0.414616D+01 -0.198957D+01  0.342068D+01  0.303090D+01
                61            62            63            64            65 
      1   0.395895D+01 -0.125745D+01  0.482618D+01  0.924038D+01  0.383017D+01
      2  -0.125745D+01  0.350261D+01  0.264994D+01  0.383017D+01 -0.106943D+02
      3   0.482618D+01  0.264994D+01 -0.118911D+01  0.874340D+00 -0.147789D+01
                66            67            68            69            70 
      1   0.874340D+00  0.692367D+01  0.398169D+00  0.344131D+00  0.160491D+01
      2  -0.147789D+01  0.398169D+00  0.572953D+01  0.558330D+00  0.403421D-01
      3  -0.257650D+00  0.344131D+00  0.558330D+00  0.751275D+00 -0.117277D+01
                71            72            73            74            75 
      1   0.403421D-01 -0.117277D+01 -0.112690D-01  0.299756D-01 -0.153911D+00
      2  -0.334456D+00  0.115955D+01  0.299756D-01 -0.248710D-01 -0.359434D+00
      3   0.115955D+01  0.370432D+00 -0.153911D+00 -0.359434D+00  0.693579D-02
                76            77            78            79            80 
      1   0.842744D-02 -0.459922D-02 -0.863244D+00  0.175835D+01  0.586997D+00
      2  -0.459922D-02  0.194050D-01  0.335173D+00  0.586997D+00  0.318368D+00
      3  -0.863244D+00  0.335173D+00  0.413345D-02  0.119594D-02  0.576100D-05
                81            82            83            84            85 
      1   0.119594D-02 -0.338242D+01 -0.103923D+02 -0.183191D+01 -0.756772D+01
      2   0.576100D-05 -0.103923D+02 -0.363315D+01 -0.826050D+00  0.135358D+01
      3  -0.228293D+00 -0.183191D+01 -0.826050D+00 -0.103474D+00  0.626591D+00
                86            87            88            89            90 
      1   0.135358D+01  0.626591D+00 -0.202745D+01  0.426251D+00 -0.198173D+01
      2  -0.169310D+01 -0.404586D-01  0.426251D+00  0.389495D+00 -0.111977D+01
      3  -0.404586D-01 -0.111518D+00 -0.198173D+01 -0.111977D+01 -0.290081D+00
                91            92            93            94            95 
      1  -0.656386D+01  0.496322D+01  0.807192D+00 -0.901850D+01 -0.155925D+02
      2   0.496322D+01 -0.538615D+01 -0.406113D+00 -0.155925D+02 -0.265284D+02
      3   0.807192D+00 -0.406113D+00 -0.154210D+01 -0.203011D+01 -0.316521D+01
                96            97            98            99           100 
      1  -0.203011D+01 -0.264891D+01 -0.235450D+01 -0.222287D+01 -0.997996D+00
      2  -0.316521D+01 -0.235450D+01 -0.350689D+01 -0.482578D+01 -0.449312D+01
      3  -0.268515D+01 -0.222287D+01 -0.482578D+01 -0.182735D+01 -0.305499D+00
               101           102           103           104           105 
      1  -0.449312D+01 -0.305499D+00  0.101940D+01  0.989216D+01  0.168925D+01
      2  -0.318453D+01 -0.156205D+00  0.989216D+01  0.396949D+01  0.573376D+00
      3  -0.156205D+00 -0.112541D+01  0.168925D+01  0.573376D+00 -0.629045D+00
               106           107           108           109           110 
      1   0.161834D+01  0.144252D+01 -0.916429D+00  0.279014D+01  0.762823D+00
      2   0.144252D+01 -0.878607D+00  0.854359D+00  0.762823D+00  0.432462D+01
      3  -0.916429D+00  0.854359D+00 -0.417835D+00  0.158779D+01  0.333562D-02
               111           112           113           114           115 
      1   0.158779D+01 -0.127085D+01 -0.412913D+00 -0.525286D+00  0.146390D+01
      2   0.333562D-02 -0.412913D+00 -0.435974D+01  0.115770D+01  0.410956D+00
      3   0.906325D+00 -0.525286D+00  0.115770D+01 -0.515715D+00  0.152005D+01
               116           117           118           119           120 
      1   0.410956D+00  0.152005D+01 -0.164567D+01 -0.516290D+01  0.367645D+00
      2   0.411087D+01 -0.140697D+01 -0.516290D+01 -0.166106D+01 -0.166113D+01
      3  -0.140697D+01  0.363648D+01  0.367645D+00 -0.166113D+01  0.313895D+01
               121           122           123           124           125 
      1  -0.412722D+01 -0.166113D+01 -0.162443D+01  0.417817D+00 -0.184227D+01
      2  -0.166113D+01 -0.103990D+00  0.179763D+01 -0.184227D+01  0.195300D+01
      3  -0.162443D+01  0.179763D+01 -0.398154D+00  0.298609D+01 -0.774613D+00
               126           127           128           129           130 
      1   0.298609D+01  0.163704D+01  0.459729D+01 -0.656297D+00  0.684249D+01
      2  -0.774613D+00  0.459729D+01 -0.109276D+00  0.171383D+01 -0.197636D+01
      3  -0.366459D+01 -0.656297D+00  0.171383D+01 -0.242957D+01  0.187921D+01
               131           132           133           134           135 
      1  -0.197636D+01  0.187921D+01 -0.148998D+01  0.920709D+00 -0.349362D+01
      2  -0.212767D+01 -0.303577D+01  0.920709D+00 -0.316662D+01 -0.303481D+01
      3  -0.303577D+01 -0.256751D+01 -0.349362D+01 -0.303481D+01  0.142751D+01
               136           137           138           139           140 
      1   0.340690D+01  0.422002D+01 -0.136271D+01  0.476373D+01 -0.156672D+01
      2   0.422002D+01 -0.421589D+00  0.188821D+01 -0.156672D+01 -0.127197D+01
      3  -0.136271D+01  0.188821D+01 -0.255262D+01  0.165321D+01 -0.413319D+01
               141           142           143           144           145 
      1   0.165321D+01 -0.133831D+01  0.113030D+01 -0.255125D+01 -0.925402D+01
      2  -0.413319D+01  0.113030D+01 -0.302215D+01 -0.221097D+01 -0.383024D+01
      3  -0.218598D+01 -0.255125D+01 -0.221097D+01  0.121240D+01  0.887783D+00
               146           147           148           149           150 
      1  -0.383024D+01  0.887783D+00 -0.691695D+01 -0.383024D+00  0.341759D+00
      2   0.106839D+02 -0.148834D+01 -0.383024D+00 -0.573741D+01  0.563499D+00
      3  -0.148834D+01  0.261262D+00  0.341759D+00  0.563499D+00 -0.754954D+00
               151           152           153           154           155 
      1   0.161105D+01  0.433096D-01  0.117421D+01  0.946664D+01 -0.619142D+00
      2   0.433096D-01 -0.330360D+00 -0.116270D+01 -0.619142D+00 -0.987593D+01
      3   0.117421D+01 -0.116270D+01  0.369168D+00 -0.367901D+00  0.551104D+00
               156           157           158           159           160 
      1  -0.367901D+00 -0.593832D+01 -0.570674D+01 -0.409412D+00  0.120956D+01
      2   0.551104D+00 -0.570674D+01 -0.310380D+01 -0.384614D-01 -0.609882D+00
      3   0.506614D+00 -0.409412D+00 -0.384614D-01 -0.197988D+00 -0.156526D+01
               161           162           163           164           165 
      1  -0.609882D+00 -0.156526D+01  0.101058D+01 -0.189564D+01 -0.606610D+00
      2   0.104170D+01 -0.263733D+01 -0.189564D+01 -0.594042D+00  0.226710D+01
      3  -0.263733D+01  0.838247D+00 -0.606610D+00  0.226710D+01  0.340256D+01
               166           167           168           169           170 
      1  -0.949094D+01 -0.212716D+01  0.253860D+01  0.106566D+01  0.508108D+01
      2  -0.212716D+01  0.111440D+01 -0.179684D+01  0.508108D+01 -0.598012D+00
      3   0.253860D+01 -0.179684D+01 -0.176881D+01  0.538545D+01  0.141461D+01
               171           172           173           174           175 
      1   0.538545D+01  0.149948D+01  0.522066D+01  0.165420D+01  0.827004D+01
      2   0.141461D+01  0.522066D+01  0.289415D+00 -0.179827D+01 -0.933138D+00
      3   0.272388D+01  0.165420D+01 -0.179827D+01 -0.413435D+01 -0.199347D+01
               176           177           178           179           180 
      1  -0.933138D+00 -0.199347D+01  0.395742D+01 -0.125172D+01 -0.481020D+01
      2  -0.191696D+01  0.342531D+01 -0.125172D+01  0.348825D+01 -0.265478D+01
      3   0.342531D+01 -0.305060D+01 -0.481020D+01 -0.265478D+01 -0.121331D+01
               181           182           183           184           185 
      1   0.250292D+01 -0.964414D-01 -0.296372D+00 -0.840662D+00  0.461587D+01
      2  -0.964414D-01  0.330705D+01  0.101264D+01  0.461587D+01  0.703937D+00
      3  -0.296372D+00  0.101264D+01  0.200447D+01  0.117039D+01 -0.213785D+01
               186           187           188           189           190 
      1   0.117039D+01  0.971863D+00  0.119335D+01  0.426168D+01 -0.153547D+02
      2  -0.213785D+01  0.119335D+01  0.354119D+00  0.301568D+01 -0.669274D+01
      3   0.445782D+01  0.426168D+01  0.301568D+01  0.330766D+00  0.296107D+00
               191           192           193           194           195 
      1  -0.669274D+01  0.296107D+00 -0.198418D+01 -0.399956D+01 -0.166056D+00
      2  -0.111841D+02  0.986081D+00 -0.399956D+01 -0.162580D+02  0.224433D+01
      3   0.986081D+00 -0.153188D+01 -0.166056D+00  0.224433D+01 -0.171613D+01
               196           197           198           199           200 
      1   0.577053D-01  0.199938D+00 -0.380167D+01  0.827140D+01  0.940777D+00
      2   0.199938D+00  0.194939D+01 -0.194732D+01  0.940777D+00 -0.565683D+00
      3  -0.380167D+01 -0.194732D+01  0.817572D+00  0.179850D+01  0.550890D+00
               201           202           203           204           205 
      1   0.179850D+01  0.367379D+00 -0.233102D+01 -0.160556D+00 -0.160164D+01
      2   0.550890D+00 -0.233102D+01  0.776512D+00  0.342229D+00 -0.840433D+00
      3  -0.201152D+01 -0.160556D+00  0.342229D+00 -0.357139D+01 -0.240144D+01
               206           207           208           209           210 
      1  -0.840433D+00 -0.240144D+01  0.316782D+00  0.374102D+01  0.183560D+01
      2  -0.105819D+01 -0.357287D+01  0.374102D+01  0.368905D+01 -0.445779D+00
      3  -0.357287D+01  0.351643D+00  0.183560D+01 -0.445779D+00 -0.344377D+01
               211           212           213           214           215 
      1   0.514623D+01  0.526262D+01  0.477596D+00 -0.267831D+01 -0.328078D+01
      2   0.526262D+01 -0.347339D+00  0.228058D+01 -0.328078D+01 -0.251288D+00
      3   0.477596D+00  0.228058D+01  0.973935D+00 -0.491025D+01  0.294108D+00
               216           217           218           219           220 
      1  -0.491025D+01 -0.341952D+01 -0.421596D+01 -0.135443D+01 -0.476544D+01
      2   0.294108D+00 -0.421596D+01  0.425843D+00  0.186317D+01  0.155877D+01
      3  -0.183860D+01 -0.135443D+01  0.186317D+01  0.254683D+01  0.164642D+01
               221           222           223           224           225 
      1   0.155877D+01  0.164642D+01 -0.134917D+01  0.110112D+01  0.253894D+01
      2   0.127723D+01 -0.414084D+01  0.110112D+01 -0.302813D+01  0.221823D+01
      3  -0.414084D+01  0.219726D+01  0.253894D+01  0.221823D+01  0.121272D+01
               226           227           228           229           230 
      1  -0.160910D+01 -0.459378D+01 -0.681937D+00 -0.686474D+01  0.199541D+01
      2  -0.459378D+01  0.894403D-01  0.171304D+01  0.199541D+01  0.210169D+01
      3  -0.681937D+00  0.171304D+01  0.242080D+01  0.186386D+01 -0.301947D+01
               231           232           233           234           235 
      1   0.186386D+01 -0.151056D+01  0.901828D+00  0.348638D+01  0.161214D+01
      2  -0.301947D+01  0.901828D+00 -0.314587D+01  0.305131D+01  0.515015D+01
      3   0.257962D+01  0.348638D+01  0.305131D+01  0.144686D+01  0.376198D+00
               236           237           238           239           240 
      1   0.515015D+01  0.376198D+00  0.410962D+01  0.170611D+01 -0.161177D+01
      2   0.165658D+01 -0.165841D+01  0.170611D+01  0.107133D+00  0.178430D+01
      3  -0.165841D+01 -0.313464D+01 -0.161177D+01  0.178430D+01  0.375420D+00
               241           242           243           244           245 
      1   0.444643D+00 -0.185304D+01 -0.298865D+01  0.657375D+01 -0.498430D+01
      2  -0.185304D+01  0.196700D+01  0.771192D+00 -0.498430D+01  0.536810D+01
      3  -0.298865D+01  0.771192D+00 -0.366980D+01  0.800576D+00 -0.399540D+00
               246           247           248           249           250 
      1   0.800576D+00  0.898208D+01  0.155699D+02 -0.203280D+01 -0.264388D+01
      2  -0.399540D+00  0.155699D+02  0.265220D+02 -0.316538D+01 -0.235954D+01
      3   0.154141D+01 -0.203280D+01 -0.316538D+01  0.268957D+01  0.222047D+01
               251           252           253           254           255 
      1  -0.235954D+01  0.222047D+01  0.982638D+00  0.449985D+01 -0.301712D+00
      2  -0.349614D+01  0.482399D+01  0.449985D+01  0.317669D+01 -0.152666D+00
      3   0.482399D+01 -0.183308D+01 -0.301712D+00 -0.152666D+00  0.112451D+01
               256           257           258           259           260 
      1  -0.102538D+01 -0.986920D+01  0.167997D+01  0.162951D+01  0.143188D+01
      2  -0.986920D+01 -0.397723D+01  0.582256D+00  0.143188D+01 -0.867214D+00
      3   0.167997D+01  0.582256D+00  0.616624D+00  0.920535D+00 -0.855484D+00
               261           262           263           264           265 
      1   0.920535D+00 -0.279284D+01 -0.762657D+00  0.158855D+01  0.127495D+01
      2  -0.855484D+00 -0.762657D+00 -0.432978D+01  0.770306D-03  0.389436D+00
      3  -0.417325D+00  0.158855D+01  0.770306D-03 -0.909067D+00 -0.523985D+00
               266           267           268           269           270 
      1   0.389436D+00 -0.523985D+00  0.146619D+01  0.407835D+00 -0.151568D+01
      2   0.437365D+01  0.115708D+01  0.407835D+00  0.411103D+01  0.140594D+01
      3   0.115708D+01  0.523319D+00 -0.151568D+01  0.140594D+01  0.363878D+01
               271           272           273           274           275 
      1   0.336938D+01  0.103821D+02 -0.182280D+01  0.757198D+01 -0.135485D+01
      2   0.103821D+02  0.364402D+01 -0.830078D+00 -0.135485D+01  0.169528D+01
      3  -0.182280D+01 -0.830078D+00  0.103815D+00  0.621555D+00 -0.373023D-01
               276           277           278           279           280 
      1   0.621555D+00 -0.202758D+01  0.423838D+00  0.197854D+01 -0.355561D+01
      2  -0.373023D-01  0.423838D+00  0.390691D+00  0.111917D+01 -0.105350D+01
      3   0.117988D+00  0.197854D+01  0.111917D+01 -0.284885D+00 -0.146536D+01
               281           282           283           284           285 
      1  -0.105350D+01 -0.146536D+01  0.286040D+00 -0.397199D+00  0.752245D-01
      2  -0.444719D+01  0.102931D+01 -0.397199D+00  0.170349D+01 -0.128950D+01
      3   0.102931D+01 -0.138406D+01  0.752245D-01 -0.128950D+01  0.124558D+00
               286           287           288           289           290 
      1  -0.181082D+01 -0.271483D+00 -0.171903D+01  0.292051D+01  0.219425D+01
      2  -0.271483D+00 -0.240423D+01  0.122412D+01  0.219425D+01  0.193439D+01
      3  -0.171903D+01  0.122412D+01 -0.346690D+01 -0.536532D+00 -0.384841D+00
               291           292           293           294           295 
      1  -0.536532D+00  0.134001D+01  0.278857D+01 -0.359332D+00 -0.358481D+00
      2  -0.384841D+00  0.278857D+01  0.602162D+01 -0.990305D+00 -0.425424D+00
      3   0.660024D+00 -0.359332D+00 -0.990305D+00  0.580290D+00  0.868193D+00
               296           297           298           299           300 
      1  -0.425424D+00  0.868193D+00 -0.292247D+01 -0.218499D+01 -0.541449D+00
      2  -0.695280D+00  0.148932D+01 -0.218499D+01 -0.193509D+01 -0.383235D+00
      3   0.148932D+01 -0.898963D+00 -0.541449D+00 -0.383235D+00 -0.655393D+00
               301           302           303           304           305 
      1  -0.132477D+01 -0.280391D+01 -0.369452D+00 -0.355523D+00 -0.432570D+00
      2  -0.280391D+01 -0.599980D+01 -0.982742D+00 -0.432570D+00 -0.695410D+00
      3  -0.369452D+00 -0.982742D+00 -0.573680D+00 -0.869554D+00 -0.148789D+01
               306           307           308           309           310 
      1  -0.869554D+00  0.356829D+01  0.103899D+01 -0.145632D+01 -0.293559D+00
      2  -0.148789D+01  0.103899D+01  0.445721D+01  0.102376D+01  0.406723D+00
      3  -0.896500D+00 -0.145632D+01  0.102376D+01  0.138214D+01  0.718385D-01
               311           312           313           314           315 
      1   0.406723D+00  0.718385D-01 -0.180669D+01 -0.268966D+00  0.171213D+01
      2  -0.172602D+01 -0.129406D+01 -0.268966D+00 -0.240110D+01 -0.122481D+01
      3  -0.129406D+01 -0.134162D+00  0.171213D+01 -0.122481D+01 -0.346683D+01
               316           317           318           319           320 
      1  -0.473111D+01 -0.347317D+01 -0.140594D+01 -0.414379D+01 -0.454516D+01
      2  -0.347317D+01 -0.438378D+01 -0.936216D+00 -0.454516D+01 -0.637187D+01
      3  -0.140594D+01 -0.936216D+00 -0.107598D+01 -0.136792D+01 -0.204728D+01
               321           322           323           324           325 
      1  -0.136792D+01  0.253182D+00  0.157370D+00 -0.532414D+00  0.233449D+01
      2  -0.204728D+01  0.157370D+00 -0.110525D+01 -0.112909D+01 -0.135502D+01
      3  -0.162305D+01 -0.532414D+00 -0.112909D+01 -0.671254D+00 -0.202255D+01
               326           327           328           329           330 
      1  -0.135502D+01 -0.202255D+01 -0.629357D+00  0.164056D+00  0.407070D+00
      2   0.967708D+00  0.135089D+01  0.164056D+00 -0.147501D+01 -0.148473D+01
      3   0.135089D+01  0.359320D+01  0.407070D+00 -0.148473D+01 -0.119113D+01
               331           332           333           334           335 
      1  -0.110863D+01  0.639198D+00  0.181922D+01 -0.129038D+02 -0.447771D+00
      2   0.639198D+00 -0.137563D+01 -0.189001D+01 -0.447771D+00 -0.874254D+00
      3   0.181922D+01 -0.189001D+01 -0.500211D+01 -0.358641D+01 -0.101181D+00
               336           337           338           339           340 
      1  -0.358641D+01 -0.300991D+00 -0.107420D+01  0.164715D-01 -0.201634D+01
      2  -0.101181D+00 -0.107420D+01  0.336892D+00 -0.535252D+00  0.931838D-02
      3  -0.220880D+01  0.164715D-01 -0.535252D+00  0.155653D+00 -0.180472D+01
               341           342           343           344           345 
      1   0.931838D-02 -0.180472D+01 -0.435899D+00  0.424306D+00 -0.100781D+01
      2   0.286169D+00  0.101530D+00  0.424306D+00  0.694235D+00 -0.645343D+00
      3   0.101530D+00 -0.115290D+01 -0.100781D+01 -0.645343D+00  0.193336D+01
               346           347           348           349           350 
      1   0.623659D+00  0.157055D+00  0.229087D+00 -0.858407D+00  0.216660D+00
      2   0.157055D+00  0.179308D+01 -0.187104D+01  0.216660D+00 -0.170201D+01
      3   0.229087D+00 -0.187104D+01  0.309736D+01 -0.102072D+00  0.240786D+01
               351           352           353           354           355 
      1  -0.102072D+00 -0.393768D+01  0.298115D+01  0.393300D+00  0.356674D+01
      2   0.240786D+01  0.298115D+01 -0.166101D+01 -0.383560D+00 -0.260303D+01
      3  -0.632218D+01  0.393300D+00 -0.383560D+00 -0.950903D+00 -0.395647D+00
               356           357           358           359           360 
      1  -0.260303D+01 -0.395647D+00  0.543211D+00 -0.664931D+00 -0.142301D+01
      2   0.578907D+01  0.463778D+00 -0.664931D+00  0.290941D+00  0.884609D+00
      3   0.463778D+00  0.588442D+00 -0.142301D+01  0.884609D+00  0.497977D+00
               361           362           363           364           365 
      1   0.625151D+01  0.239421D+01  0.388171D+00  0.210668D+01  0.105373D+01
      2   0.239421D+01  0.136287D+01 -0.301259D+00  0.105373D+01  0.799496D+00
      3   0.388171D+00 -0.301259D+00  0.235058D+01 -0.539357D-01  0.672818D+00
               366           367           368           369           370 
      1  -0.539357D-01 -0.222162D+00 -0.287799D+00  0.129434D+01 -0.197088D+00
      2   0.672818D+00 -0.287799D+00  0.383480D+00  0.569501D+00 -0.314675D+00
      3   0.825189D+00  0.129434D+01  0.569501D+00 -0.251759D-01  0.102609D+01
               371           372           373           374           375 
      1  -0.314675D+00  0.102609D+01 -0.739399D+00 -0.726622D+00  0.561214D+00
      2  -0.119900D+00 -0.146921D+00 -0.726622D+00 -0.362284D+01  0.301221D+01
      3  -0.146921D+00 -0.498605D+00  0.561214D+00  0.301221D+01 -0.442543D+01
               376           377           378           379           380 
      1   0.105156D+01  0.295894D+00 -0.101933D+01 -0.328400D+01  0.190828D+01
      2   0.295894D+00  0.218635D+01 -0.271688D+01  0.190828D+01 -0.162218D+01
      3  -0.101933D+01 -0.271688D+01  0.517165D+01  0.246650D+01 -0.136250D+01
               381           382           383           384           385 
      1   0.246650D+01  0.271293D+01 -0.197557D+01 -0.191683D+01  0.149932D+01
      2  -0.136250D+01 -0.197557D+01  0.265010D+01  0.247754D+01 -0.891513D+00
      3  -0.299745D+01 -0.191683D+01  0.247754D+01  0.275854D+01 -0.209850D+01
               386           387           388           389           390 
      1  -0.891513D+00 -0.209850D+01 -0.281457D+01 -0.726955D+00 -0.161264D+01
      2   0.148301D+01  0.127547D+01 -0.726955D+00 -0.844023D+00 -0.777027D+00
      3   0.127547D+01  0.314662D+01 -0.161264D+01 -0.777027D+00 -0.146766D+01
               391           392           393           394           395 
      1  -0.827628D+00 -0.130188D+01 -0.837378D+00 -0.327755D+01 -0.129496D+01
      2  -0.130188D+01 -0.144105D+01 -0.606467D+00 -0.129496D+01 -0.100275D+01
      3  -0.837378D+00 -0.606467D+00 -0.124342D+01 -0.172845D+01 -0.123569D+01
               396           397           398           399           400 
      1  -0.172845D+01 -0.694067D+01  0.221186D+01  0.212776D+01  0.586728D+01
      2  -0.123569D+01  0.221186D+01 -0.135136D+01 -0.633397D+00 -0.216553D+01
      3  -0.385909D+01  0.212776D+01 -0.633397D+00 -0.157249D+01 -0.185995D+01
               401           402           403           404           405 
      1  -0.216553D+01 -0.185995D+01  0.287958D+01 -0.678651D+00 -0.230107D+01
      2   0.183152D+01  0.116506D+01 -0.678651D+00  0.976554D+00  0.323364D+00
      3   0.116506D+01  0.121267D+01 -0.230107D+01  0.323364D+00  0.151842D+01
               406           407           408           409           410 
      1  -0.107720D+01 -0.585641D+00  0.977094D+00 -0.207132D+01 -0.245522D+01
      2  -0.585641D+00 -0.461858D+00  0.179399D+00 -0.245522D+01 -0.480300D+01
      3   0.977094D+00  0.179399D+00 -0.527125D+00  0.124917D+01  0.283456D+01
               411           412           413           414           415 
      1   0.124917D+01  0.253925D+01  0.132710D+01 -0.198037D+01  0.320153D+01
      2   0.283456D+01  0.132710D+01  0.291782D+01 -0.262937D+01 -0.248009D+01
      3  -0.258772D+01 -0.198037D+01 -0.262937D+01  0.314812D+01 -0.113913D+01
               416           417           418           419           420 
      1  -0.248009D+01 -0.113913D+01 -0.184792D+01  0.165495D+01  0.651988D+00
      2   0.292507D+01  0.795041D+00  0.165495D+01 -0.374587D+01 -0.131479D+01
      3   0.795041D+00  0.149318D+01  0.651988D+00 -0.131479D+01 -0.716113D+00
               421           422           423           424           425 
      1  -0.179303D+01  0.111238D+01  0.146057D+01 -0.474232D+01 -0.392548D+01
      2   0.111238D+01 -0.284348D+01 -0.131522D+01 -0.392548D+01 -0.496848D+01
      3   0.146057D+01 -0.131522D+01 -0.137980D+01  0.421139D+00  0.814932D+00
               426           427           428           429           430 
      1   0.421139D+00 -0.295148D+01 -0.326351D+01  0.542099D+00 -0.174093D-01
      2   0.814932D+00 -0.326351D+01 -0.586908D+01  0.463378D+00  0.375247D+00
      3  -0.665943D+00  0.542099D+00  0.463378D+00 -0.737976D+00 -0.492214D+00
               431           432           433           434           435 
      1   0.375247D+00 -0.492214D+00  0.127950D+01 -0.805137D+00  0.126457D+01
      2  -0.108934D+00 -0.101319D+01 -0.805137D+00  0.995598D+00 -0.498252D+00
      3  -0.101319D+01  0.653139D+00  0.126457D+01 -0.498252D+00  0.213176D+01
               436           437           438           439           440 
      1   0.467050D-01  0.473987D+00  0.519852D-01  0.122677D+01 -0.499002D+00
      2   0.473987D+00  0.505254D-01  0.833027D+00 -0.499002D+00  0.203143D+01
      3   0.519852D-01  0.833027D+00 -0.249436D+00  0.164314D+01 -0.188072D+01
               441           442           443           444           445 
      1   0.164314D+01  0.182784D+00  0.309503D+00  0.102088D+01  0.721403D+00
      2  -0.188072D+01  0.309503D+00  0.105930D+00 -0.155128D+00  0.726004D+00
      3   0.628349D+01  0.102088D+01 -0.155128D+00  0.486738D+00  0.555407D+00
               446           447           448           449           450 
      1   0.726004D+00  0.555407D+00  0.104096D+01  0.298856D+00  0.101662D+01
      2   0.361442D+01  0.300612D+01  0.298856D+00  0.217217D+01  0.270659D+01
      3   0.300612D+01  0.442572D+01  0.101662D+01  0.270659D+01  0.516728D+01
               451           452           453           454           455 
      1  -0.625031D+01 -0.240048D+01  0.386400D+00 -0.210489D+01 -0.106386D+01
      2  -0.240048D+01 -0.136080D+01 -0.303788D+00 -0.106386D+01 -0.796112D+00
      3   0.386400D+00 -0.303788D+00 -0.234489D+01 -0.506285D-01  0.669433D+00
               456           457           458           459           460 
      1  -0.506285D-01 -0.233793D+00 -0.280007D+00 -0.130131D+01  0.329066D+01
      2   0.669433D+00 -0.280007D+00  0.375846D+00 -0.568944D+00 -0.193208D+01
      3  -0.824062D+00 -0.130131D+01 -0.568944D+00 -0.344947D-01  0.246651D+01
               461           462           463           464           465 
      1  -0.193208D+01  0.246651D+01 -0.269578D+01  0.196257D+01 -0.191794D+01
      2   0.163993D+01 -0.135648D+01  0.196257D+01 -0.264186D+01  0.247471D+01
      3  -0.135648D+01  0.300642D+01 -0.191794D+01  0.247471D+01 -0.277166D+01
               466           467           468           469           470 
      1   0.150996D+01 -0.884816D+00  0.211347D+01  0.107548D+01  0.604477D+00
      2  -0.884816D+00  0.148159D+01 -0.128201D+01  0.604477D+00  0.447508D+00
      3   0.211347D+01 -0.128201D+01  0.316850D+01  0.979908D+00  0.177842D+00
               471           472           473           474           475 
      1   0.979908D+00  0.207731D+01  0.246297D+01  0.124882D+01  0.253610D+01
      2   0.177842D+00  0.246297D+01  0.479304D+01  0.283493D+01  0.132195D+01
      3   0.527105D+00  0.124882D+01  0.283493D+01  0.258581D+01  0.197930D+01
               476           477           478           479           480 
      1   0.132195D+01  0.197930D+01  0.692618D+01 -0.220285D+01  0.215098D+01
      2   0.291270D+01  0.263122D+01 -0.220285D+01  0.134202D+01 -0.646311D+00
      3   0.263122D+01  0.314510D+01  0.215098D+01 -0.646311D+00  0.158289D+01
               481           482           483           484           485 
      1  -0.588108D+01  0.217734D+01 -0.186283D+01  0.289795D+01 -0.679842D+00
      2   0.217734D+01 -0.184583D+01  0.116601D+01 -0.679842D+00  0.985871D+00
      3  -0.186283D+01  0.116601D+01 -0.122739D+01  0.230887D+01 -0.331926D+00
               486           487           488           489           490 
      1   0.230887D+01  0.282531D+01  0.744498D+00 -0.163235D+01  0.823175D+00
      2  -0.331926D+00  0.744498D+00  0.830737D+00 -0.774374D+00  0.130693D+01
      3   0.152954D+01 -0.163235D+01 -0.774374D+00  0.145724D+01 -0.844276D+00
               491           492           493           494           495 
      1   0.130693D+01 -0.844276D+00 -0.328511D+01 -0.130954D+01  0.172861D+01
      2   0.143955D+01 -0.606364D+00 -0.130954D+01 -0.988765D+00  0.123160D+01
      3  -0.606364D+00  0.123753D+01  0.172861D+01  0.123160D+01 -0.384819D+01
               496           497           498           499           500 
      1   0.129164D+02  0.436001D+00 -0.356967D+01  0.295673D+00  0.107139D+01
      2   0.436001D+00  0.885629D+00 -0.938594D-01  0.107139D+01 -0.330714D+00
      3  -0.356967D+01 -0.938594D-01  0.219495D+01  0.128816D-01 -0.528336D+00
               501           502           503           504           505 
      1   0.128816D-01 -0.199846D+01 -0.831962D-02  0.177615D+01  0.433455D+00
      2  -0.528336D+00 -0.831962D-02  0.286170D+00 -0.915408D-01 -0.424988D+00
      3  -0.153069D+00  0.177615D+01 -0.915408D-01 -0.113158D+01 -0.999744D+00
               506           507           508           509           510 
      1  -0.424988D+00 -0.999744D+00 -0.628807D+00 -0.160530D+00  0.245835D+00
      2  -0.695485D+00 -0.647585D+00 -0.160530D+00 -0.179479D+01 -0.188125D+01
      3  -0.647585D+00 -0.192553D+01  0.245835D+00 -0.188125D+01 -0.309836D+01
               511           512           513           514           515 
      1  -0.867170D+00  0.230735D+00  0.991793D-01 -0.232193D+01  0.135320D+01
      2   0.230735D+00 -0.171075D+01 -0.240594D+01  0.135320D+01 -0.968322D+00
      3   0.991793D-01 -0.240594D+01 -0.633393D+01 -0.201695D+01  0.134841D+01
               516           517           518           519           520 
      1  -0.201695D+01  0.626242D+00 -0.164900D+00  0.399197D+00 -0.110995D+01
      2   0.134841D+01 -0.164900D+00  0.148014D+01 -0.148701D+01  0.653120D+00
      3  -0.359677D+01  0.399197D+00 -0.148701D+01  0.119431D+01 -0.180871D+01
               521           522           523           524           525 
      1   0.653120D+00 -0.180871D+01  0.474023D+01  0.347650D+01 -0.141042D+01
      2  -0.139036D+01  0.189303D+01  0.347650D+01  0.438809D+01 -0.934936D+00
      3   0.189303D+01 -0.501295D+01 -0.141042D+01 -0.934936D+00  0.108007D+01
               526           527           528           529           530 
      1   0.415249D+01  0.453658D+01 -0.137206D+01  0.239406D+00  0.183278D+00
      2   0.453658D+01  0.637354D+01 -0.203714D+01  0.183278D+00 -0.112299D+01
      3  -0.137206D+01 -0.203714D+01  0.162527D+01  0.535576D+00  0.112285D+01
               531           532           533           534           535 
      1   0.535576D+00  0.394014D+01 -0.298257D+01  0.396245D+00 -0.355632D+01
      2   0.112285D+01 -0.298257D+01  0.166044D+01 -0.385812D+00  0.258335D+01
      3  -0.675771D+00  0.396245D+00 -0.385812D+00  0.949666D+00 -0.399011D+00
               536           537           538           539           540 
      1   0.258335D+01 -0.399011D+00  0.609821D+00 -0.726722D+00  0.140870D+01
      2  -0.576976D+01  0.462907D+00 -0.726722D+00  0.349744D+00 -0.871791D+00
      3   0.462907D+00 -0.587558D+00  0.140870D+01 -0.871791D+00  0.507342D+00
               541           542           543           544           545 
      1   0.473124D+01  0.392285D+01  0.423605D+00  0.296865D+01  0.326377D+01
      2   0.392285D+01  0.497189D+01  0.815442D+00  0.326377D+01  0.587893D+01
      3   0.423605D+00  0.815442D+00  0.661474D+00  0.540353D+00  0.473634D+00
               546           547           548           549           550 
      1   0.540353D+00 -0.142720D-01  0.373681D+00  0.498141D+00 -0.317964D+01
      2   0.473634D+00  0.373681D+00 -0.990544D-01  0.101115D+01  0.247807D+01
      3   0.740373D+00  0.498141D+00  0.101115D+01  0.653325D+00 -0.114508D+01
               551           552           553           554           555 
      1   0.247807D+01 -0.114508D+01  0.184850D+01 -0.165469D+01  0.653913D+00
      2  -0.292441D+01  0.803703D+00 -0.165469D+01  0.376362D+01 -0.131949D+01
      3   0.803703D+00 -0.149754D+01  0.653913D+00 -0.131949D+01  0.730130D+00
               556           557           558           559           560 
      1  -0.178373D+01  0.111917D+01 -0.146185D+01 -0.127521D+01  0.807165D+00
      2   0.111917D+01 -0.285161D+01  0.132193D+01  0.807165D+00 -0.996133D+00
      3  -0.146185D+01  0.132193D+01 -0.138876D+01  0.127047D+01 -0.506147D+00
               561           562           563           564           565 
      1   0.127047D+01 -0.531424D-01 -0.475632D+00  0.471786D-01  0.122379D+01
      2  -0.506147D+00 -0.475632D+00 -0.496050D-01  0.840801D+00 -0.501314D+00
      3  -0.213956D+01  0.471786D-01  0.840801D+00  0.258661D+00 -0.164890D+01
               566           567 
      1  -0.501314D+00 -0.164890D+01
      2   0.203195D+01  0.188312D+01
      3   0.188312D+01  0.627795D+01
 Property number 2 -- FD Optical Rotation Tensor derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.787500D+00 -0.788548D+01 -0.121721D+01 -0.441822D+01  0.132397D+01
      2  -0.873297D+01  0.171674D+01  0.181453D+02 -0.428988D+01  0.535138D+01
      3   0.588297D+01 -0.806099D+01 -0.337125D+01 -0.123763D+02  0.932004D+00
                 6             7             8             9            10 
      1  -0.357722D+01  0.122066D+01  0.626551D+01 -0.862955D+01  0.127153D+01
      2   0.216823D+02  0.126265D+02  0.223800D+02  0.607371D+01 -0.831977D+00
      3  -0.275324D+01  0.616953D+01  0.961856D+01 -0.229529D+02 -0.325963D+01
                11            12            13            14            15 
      1   0.650812D+01  0.115627D+01  0.128858D+01  0.536126D+00 -0.510735D+01
      2   0.337304D+01 -0.720962D+01  0.514554D+01 -0.116360D+02 -0.227565D+02
      3   0.184470D+02 -0.642372D+01  0.362019D+02  0.425485D+01  0.110774D+02
                16            17            18            19            20 
      1   0.417472D+01  0.623076D+01  0.394999D+01 -0.101828D+01 -0.725338D+01
      2  -0.242432D+02 -0.188962D+02  0.628870D+00  0.370500D+01  0.437895D+01
      3  -0.105516D+02 -0.625057D+01  0.186481D+02 -0.318500D+02 -0.578393D+02
                21            22            23            24            25 
      1   0.980174D-01 -0.518786D-01 -0.256178D+01 -0.632105D+00  0.750962D+01
      2   0.600691D+01 -0.892757D+01  0.784845D+01  0.767520D+01  0.517097D+01
      3  -0.489383D+01  0.289820D+02 -0.696622D+02 -0.891473D+01  0.664580D+01
                26            27            28            29            30 
      1   0.300246D+01  0.145577D+01 -0.327168D+01 -0.389208D+01  0.270496D+01
      2   0.302502D+01  0.368722D+01 -0.108882D+02  0.887605D+00 -0.106188D+02
      3  -0.798616D+01 -0.128911D+02  0.429580D+02 -0.489354D+02 -0.562720D+01
                31            32            33            34            35 
      1   0.486729D+01 -0.570713D+01  0.579471D+01  0.274805D+01  0.578479D+01
      2   0.588955D+01 -0.293354D+01 -0.320289D+01 -0.103496D+02  0.682031D+01
      3  -0.573722D+02 -0.178406D+02 -0.266124D+01  0.785644D+00 -0.109513D+02
                36            37            38            39            40 
      1   0.374550D+00  0.474051D+01 -0.322068D+01  0.351338D+01 -0.714621D+01
      2   0.939329D+00 -0.576235D+01  0.108818D+02 -0.618278D+01  0.110730D+02
      3  -0.127483D+02 -0.110082D+02 -0.140505D+01 -0.112087D+02  0.182391D+02
                41            42            43            44            45 
      1   0.504987D+01 -0.111613D+02  0.123068D+02  0.151466D+02 -0.537747D+01
      2  -0.332542D+01  0.100450D+02 -0.325247D+02 -0.817964D+01  0.749150D+01
      3   0.113753D+02  0.143546D+02 -0.181283D+02  0.110484D+02 -0.565042D+01
                46            47            48            49            50 
      1  -0.163418D+01  0.419845D+01 -0.891496D+01  0.600380D+01 -0.826306D+01
      2   0.774770D+01 -0.759237D+01  0.214471D+02 -0.433234D-01  0.373524D+01
      3   0.178170D+02  0.305571D+01  0.701430D+01  0.140706D+02 -0.135655D+02
                51            52            53            54            55 
      1  -0.324817D+01 -0.137013D+02  0.207999D+01  0.668221D+01 -0.662958D+01
      2  -0.505287D+01  0.211430D+02 -0.228642D+01  0.416028D+00  0.149941D+02
      3  -0.101955D+02  0.742688D+01 -0.452419D+01  0.157507D+02  0.276356D+02
                56            57            58            59            60 
      1   0.640985D+01 -0.605082D+01  0.708600D+01 -0.593534D+00 -0.396330D+00
      2  -0.338888D+01  0.231145D+02 -0.658791D+01  0.163091D+02  0.169284D+02
      3  -0.969272D+01  0.116075D+02 -0.177397D+02 -0.121518D+02 -0.224196D+02
                61            62            63            64            65 
      1  -0.683768D+01  0.589450D+01  0.429182D+01  0.282958D+01  0.571774D+01
      2   0.168016D+02  0.137566D+02 -0.104822D+02  0.143479D+02 -0.257569D+01
      3   0.114465D+02 -0.198280D+02 -0.961132D+01 -0.672171D+02  0.331806D+02
                66            67            68            69            70 
      1   0.101414D+01 -0.174788D+01  0.701039D+00 -0.450305D+01  0.101168D+01
      2   0.120643D+02  0.421508D+01  0.176993D+01  0.389496D+01  0.456883D+01
      3   0.854444D+01 -0.242632D+02 -0.264238D+02 -0.185771D+01 -0.776616D+01
                71            72            73            74            75 
      1  -0.484202D+01 -0.110229D+01  0.174971D-01  0.350560D-01  0.185854D+01
      2   0.330865D+01  0.136259D+01 -0.143938D+00 -0.103105D+00 -0.166429D+02
      3   0.264395D+01 -0.302223D+01  0.161436D+02  0.338593D+02  0.135483D-01
                76            77            78            79            80 
      1   0.347128D-01 -0.633216D-01  0.208955D+01  0.247454D+01  0.189206D+02
      2  -0.466083D-01 -0.785408D-01  0.271075D+00 -0.765335D+02  0.241074D+01
      3   0.177764D+03 -0.158260D+02 -0.390700D-01 -0.316625D-01 -0.748564D-01
                81            82            83            84            85 
      1  -0.412792D-02  0.596741D+01  0.323775D+00 -0.186568D+01  0.270819D+01
      2   0.519036D-02 -0.172972D+02 -0.593709D+01  0.117029D+02  0.775179D+01
      3   0.998853D+00  0.114749D+03  0.175270D+02  0.659294D+01 -0.365592D+02
                86            87            88            89            90 
      1   0.157280D+01 -0.317915D+01 -0.106802D+02 -0.610864D+01 -0.905366D+00
      2   0.799553D+00 -0.173238D+01 -0.400937D+01 -0.395083D+01 -0.138626D+01
      3   0.131184D+02 -0.252406D+00 -0.110270D+02 -0.346806D+01  0.562132D+01
                91            92            93            94            95 
      1  -0.441214D+01  0.105156D+01 -0.103675D+01 -0.230347D+01  0.720582D+01
      2   0.119380D+02  0.322373D+01 -0.112841D+02 -0.633844D+01 -0.116590D+02
      3  -0.981790D+02  0.536499D+01 -0.247907D+01  0.753048D+02  0.143172D+03
                96            97            98            99           100 
      1  -0.135491D+01 -0.380547D+01  0.123135D+02  0.183112D+01  0.187135D+01
      2  -0.999778D+01 -0.256785D+02 -0.233067D+02 -0.714226D+01 -0.895289D+00
      3   0.179681D+02  0.138951D+02  0.217779D+02  0.240158D+02  0.173993D+02
               101           102           103           104           105 
      1   0.247084D+01 -0.355887D+01 -0.130122D+01 -0.439953D+01  0.330878D-02
      2  -0.906126D+00 -0.271092D+01  0.768102D+01  0.491347D+01 -0.161224D+01
      3   0.141696D+02  0.783462D-01 -0.456170D+02 -0.418864D+02 -0.703388D+01
               106           107           108           109           110 
      1   0.376694D+01  0.139599D+02  0.546913D+00  0.651250D+01 -0.115240D+01
      2  -0.772155D+01  0.516062D+01 -0.186971D+01  0.474634D+01 -0.242501D+00
      3  -0.971002D+01 -0.143139D+01  0.319620D+00 -0.124532D+02 -0.182222D+02
               111           112           113           114           115 
      1   0.390495D+01 -0.342404D+01  0.502317D+01 -0.461721D+01  0.501504D+01
      2   0.503666D+01 -0.179592D+01  0.289034D+01 -0.277034D+01  0.324624D+01
      3  -0.556869D+01  0.845713D+01  0.155414D+02 -0.231059D+01 -0.650655D+01
               116           117           118           119           120 
      1  -0.519968D+01  0.134108D+02 -0.473025D+01  0.642355D+01 -0.122452D+02
      2  -0.401120D+01  0.129342D+02  0.132136D+01 -0.530425D+00  0.119396D+02
      3  -0.149421D+02 -0.314876D+00  0.121504D+02 -0.201939D+02  0.666639D+01
               121           122           123           124           125 
      1   0.393966D+01 -0.863715D+01  0.488841D+00 -0.120037D+02  0.101566D+02
      2  -0.206781D+01  0.672859D+01 -0.132398D+00  0.705587D+01 -0.127371D+00
      3  -0.815739D+01 -0.710932D+01 -0.134575D+02  0.994668D+01 -0.142488D+02
               126           127           128           129           130 
      1   0.153831D+02  0.562594D+01 -0.509040D+01  0.653528D+01 -0.913343D+01
      2  -0.137708D+02 -0.437469D+01  0.705503D+01 -0.149880D+02  0.735005D+01
      3   0.159506D+02 -0.297322D+02  0.879299D+01 -0.132151D+02  0.332660D+02
               131           132           133           134           135 
      1   0.213681D+01 -0.221989D+01  0.966877D+01  0.444511D+01 -0.649888D+01
      2  -0.176548D+02 -0.208231D+02 -0.288232D+02 -0.247146D+02  0.142926D+02
      3   0.123620D+02  0.260109D+02 -0.962597D+01  0.229316D+02  0.157139D+02
               136           137           138           139           140 
      1   0.148902D+02 -0.285573D+01  0.734385D+01 -0.680731D+01  0.107518D+00
      2  -0.201562D+02 -0.507532D+01 -0.338102D+01 -0.631106D+01 -0.171967D+02
      3  -0.190212D+02  0.129666D+01 -0.877826D+01  0.125598D+02  0.517800D+01
               141           142           143           144           145 
      1  -0.174020D+02  0.455585D+01 -0.733941D+01 -0.818032D+01 -0.280052D+01
      2  -0.158018D+02 -0.914288D+01 -0.128104D+02  0.132282D+02 -0.143239D+02
      3   0.193661D+02 -0.532278D+01  0.148630D+02  0.891937D+01 -0.672518D+02
               146           147           148           149           150 
      1  -0.568634D+01  0.101991D+01  0.173190D+01 -0.743048D+00 -0.449401D+01
      2   0.263886D+01  0.120357D+02 -0.423759D+01 -0.181482D+01  0.390833D+01
      3   0.331312D+02 -0.861316D+01 -0.243079D+02 -0.264244D+02  0.186320D+01
               151           152           153           154           155 
      1   0.102018D+01 -0.485086D+01  0.109184D+01  0.324248D+01  0.387487D+01
      2   0.461916D+01  0.331621D+01 -0.137183D+01  0.109832D+02 -0.888824D+00
      3   0.779873D+01 -0.255998D+01 -0.302263D+01  0.430620D+02 -0.490036D+02
               156           157           158           159           160 
      1   0.278460D+01 -0.485167D+01  0.577690D+01  0.579973D+01  0.276305D+01
      2  -0.106176D+02 -0.585238D+01  0.295099D+01 -0.320496D+01 -0.102800D+02
      3   0.568359D+01 -0.573876D+02 -0.178459D+02  0.269362D+01 -0.636570D+00
               161           162           163           164           165 
      1   0.575695D+01 -0.369278D+00 -0.484681D+01  0.323060D+01  0.349507D+01
      2   0.681571D+01 -0.992282D+00  0.576809D+01 -0.108429D+02 -0.615019D+01
      3   0.109027D+02 -0.127427D+02 -0.111022D+02 -0.137753D+01  0.112424D+02
               166           167           168           169           170 
      1   0.711609D+01 -0.507123D+01 -0.111399D+02  0.122511D+02  0.151396D+02
      2  -0.109838D+02  0.339119D+01  0.100027D+02 -0.324780D+02 -0.819714D+01
      3   0.181661D+02  0.113759D+02 -0.143614D+02  0.182122D+02 -0.110384D+02
               171           172           173           174           175 
      1   0.541015D+01  0.665471D+01 -0.645273D+01 -0.603271D+01 -0.705526D+01
      2  -0.751377D+01 -0.150992D+02  0.340454D+01  0.230310D+02  0.643200D+01
      3  -0.557018D+01  0.276983D+02 -0.959259D+01 -0.116438D+02 -0.176391D+02
               176           177           178           179           180 
      1   0.616960D+00 -0.427592D+00 -0.686134D+01  0.588270D+01 -0.432733D+01
      2  -0.164322D+02  0.169830D+02  0.167804D+02  0.137405D+02  0.105669D+02
      3  -0.122796D+02  0.224414D+02 -0.113476D+02  0.197741D+02 -0.966048D+01
               181           182           183           184           185 
      1  -0.128057D+01 -0.651229D+01  0.114795D+01 -0.135420D+01 -0.561464D+00
      2   0.982293D+00 -0.336440D+01 -0.716739D+01 -0.514268D+01  0.116575D+02
      3  -0.330568D+01  0.184959D+02  0.640154D+01  0.363045D+02  0.423814D+01
               186           187           188           189           190 
      1  -0.512359D+01  0.422018D+01  0.625356D+01 -0.395545D+01  0.102097D+01
      2  -0.227318D+02 -0.242859D+02 -0.188732D+02 -0.653019D+00 -0.365259D+01
      3  -0.110241D+02  0.102577D+02  0.652119D+01  0.186313D+02 -0.320510D+02
               191           192           193           194           195 
      1   0.729795D+01  0.101853D+00  0.753547D-01  0.260256D+01 -0.626119D+00
      2  -0.434554D+01  0.596440D+01  0.894928D+01 -0.787995D+01  0.764826D+01
      3  -0.576519D+02  0.489221D+01  0.288360D+02 -0.695451D+02  0.890812D+01
               196           197           198           199           200 
      1   0.749313D+01  0.303821D+01 -0.145956D+01  0.786643D+00  0.789833D+01
      2   0.524532D+01  0.300008D+01 -0.369911D+01  0.853893D+01 -0.178670D+01
      3  -0.668361D+01  0.797616D+01 -0.128966D+02  0.586478D+01 -0.793108D+01
               201           202           203           204           205 
      1  -0.128403D+01  0.434778D+01 -0.131161D+01 -0.357081D+01  0.124194D+01
      2   0.181791D+02  0.431282D+01 -0.521882D+01  0.217130D+02  0.124819D+02
      3   0.344180D+01 -0.123699D+02  0.927586D+00  0.266052D+01 -0.622143D+01
               206           207           208           209           210 
      1   0.630137D+01  0.864217D+01  0.165927D+01 -0.418844D+01 -0.887513D+01
      2   0.223069D+02 -0.603213D+01 -0.771296D+01  0.757068D+01  0.214058D+02
      3  -0.947978D+01 -0.229000D+02  0.177495D+02  0.320574D+01 -0.703578D+01
               211           212           213           214           215 
      1  -0.597870D+01  0.826586D+01 -0.323882D+01 -0.136542D+02  0.207190D+01
      2   0.313221D-01 -0.364534D+01 -0.502554D+01  0.211338D+02 -0.225862D+01
      3   0.140317D+02 -0.135637D+02  0.101719D+02 -0.765071D+01  0.461125D+01
               216           217           218           219           220 
      1  -0.672166D+01 -0.148969D+02  0.288504D+01  0.727327D+01  0.683245D+01
      2  -0.375212D+00  0.202232D+02  0.520814D+01 -0.332398D+01  0.640711D+01
      3   0.157142D+02 -0.192281D+02  0.142517D+01  0.873948D+01  0.125534D+02
               221           222           223           224           225 
      1  -0.159994D+00 -0.173956D+02  0.458592D+01 -0.733389D+01  0.822605D+01
      2   0.172182D+02 -0.157649D+02 -0.908783D+01 -0.128760D+02 -0.132370D+02
      3   0.511065D+01 -0.193823D+02  0.517722D+01 -0.149235D+02  0.896899D+01
               226           227           228           229           230 
      1  -0.558335D+01  0.511795D+01  0.647242D+01  0.915536D+01 -0.211635D+01
      2   0.446431D+01 -0.708874D+01 -0.149345D+02 -0.729404D+01  0.175381D+02
      3  -0.296217D+02  0.865668D+01  0.132256D+02  0.334086D+02  0.123191D+02
               231           232           233           234           235 
      1  -0.217136D+01  0.960507D+01  0.449743D+01  0.654895D+01  0.472798D+01
      2  -0.209544D+02 -0.287503D+02 -0.247590D+02 -0.143986D+02 -0.129339D+01
      3  -0.259074D+02  0.955706D+01 -0.228775D+02  0.157972D+02  0.122579D+02
               236           237           238           239           240 
      1  -0.642366D+01 -0.122316D+02 -0.387163D+01  0.862827D+01  0.466487D+00
      2   0.554358D+00  0.119139D+02  0.202378D+01 -0.679629D+01 -0.139092D+00
      3  -0.202581D+02 -0.671422D+01 -0.832431D+01 -0.695487D+01  0.134560D+02
               241           242           243           244           245 
      1  -0.120157D+02  0.100901D+02 -0.154450D+02  0.443619D+01 -0.106296D+01
      2   0.700163D+01 -0.512663D-01  0.138111D+02 -0.119926D+02 -0.323952D+01
      3  -0.989334D+01  0.141646D+02  0.158875D+02 -0.981482D+02  0.520206D+01
               246           247           248           249           250 
      1  -0.103749D+01  0.237581D+01 -0.716661D+01 -0.138351D+01 -0.379650D+01
      2  -0.113149D+02  0.621485D+01  0.116652D+02 -0.100510D+02 -0.256261D+02
      3   0.246498D+01  0.752568D+02  0.143335D+03 -0.180264D+02 -0.138963D+02
               251           252           253           254           255 
      1   0.122997D+02 -0.182434D+01 -0.185395D+01 -0.250233D+01 -0.355992D+01
      2  -0.232430D+02  0.713391D+01  0.914317D+00  0.882139D+00 -0.270307D+01
      3  -0.218055D+02  0.240160D+02  0.173916D+02  0.142247D+02 -0.818071D-01
               256           257           258           259           260 
      1   0.134053D+01  0.442929D+01 -0.298533D-01  0.372769D+01  0.139588D+02
      2  -0.765943D+01 -0.497733D+01 -0.157518D+01 -0.772033D+01  0.520174D+01
      3  -0.453831D+02 -0.421151D+02  0.703290D+01  0.967845D+01  0.149647D+01
               261           262           263           264           265 
      1  -0.551768D+00 -0.653919D+01  0.114971D+01  0.392340D+01  0.347200D+01
      2   0.185901D+01 -0.471136D+01  0.240081D+00  0.506290D+01  0.178328D+01
      3   0.307633D+00 -0.124722D+02 -0.182749D+02  0.556683D+01  0.835538D+01
               266           267           268           269           270 
      1  -0.501685D+01 -0.461827D+01  0.502428D+01 -0.519898D+01 -0.134134D+02
      2  -0.286032D+01 -0.278059D+01  0.320084D+01 -0.400934D+01 -0.129437D+02
      3   0.156037D+02  0.232885D+01  0.643798D+01  0.149545D+02 -0.299204D+00
               271           272           273           274           275 
      1  -0.591762D+01 -0.298122D+00 -0.186330D+01 -0.272765D+01 -0.154449D+01
      2   0.172570D+02  0.589653D+01  0.116963D+02 -0.771891D+01 -0.785130D+00
      3   0.114806D+03  0.175695D+02 -0.660986D+01 -0.364708D+02  0.130771D+02
               276           277           278           279           280 
      1  -0.316046D+01 -0.106687D+02 -0.610584D+01  0.910176D+00  0.730428D+01
      2  -0.174627D+01 -0.404663D+01 -0.397818D+01  0.138561D+01  0.646366D+00
      3   0.284885D+00  0.109825D+02  0.348423D+01  0.562426D+01 -0.153441D+02
               281           282           283           284           285 
      1   0.194505D+01  0.459139D+01 -0.151403D+01  0.141275D+01 -0.110474D+01
      2  -0.315932D+01  0.544803D+01  0.339174D+00  0.262193D+01 -0.862879D+00
      3  -0.201207D+02 -0.156318D+01  0.224393D+01  0.421974D+01 -0.418430D+01
               286           287           288           289           290 
      1   0.584893D+01 -0.429571D+00  0.115003D+02  0.283189D+00 -0.277401D+00
      2   0.226188D+01 -0.301321D+01  0.107407D+02  0.407378D+01  0.241963D+01
      3  -0.536147D+01 -0.930758D+01 -0.189199D+01  0.243260D+02  0.130257D+02
               291           292           293           294           295 
      1  -0.336258D+01 -0.743980D+00 -0.111764D+01 -0.565204D+01 -0.305444D+01
      2  -0.101646D+00  0.298497D+01  0.447884D+01 -0.692941D+00 -0.361548D+01
      3  -0.329536D+01  0.213810D+02  0.284054D+02 -0.434268D+01 -0.412332D+01
               296           297           298           299           300 
      1  -0.326786D+01  0.289827D+01 -0.305502D+00  0.276572D+00 -0.336245D+01
      2  -0.426431D+01  0.269325D+01 -0.407119D+01 -0.245377D+01 -0.871109D-01
      3  -0.346895D+01  0.833408D+01  0.242897D+02  0.130267D+02  0.333054D+01
               301           302           303           304           305 
      1   0.716562D+00  0.111763D+01 -0.563471D+01 -0.306857D+01 -0.326494D+01
      2  -0.299480D+01 -0.444034D+01 -0.654508D+00 -0.362718D+01 -0.425125D+01
      3   0.214656D+02  0.282996D+02  0.433220D+01  0.414244D+01  0.347829D+01
               306           307           308           309           310 
      1  -0.289627D+01 -0.729485D+01 -0.194747D+01  0.457129D+01  0.152815D+01
      2  -0.268675D+01 -0.666694D+00  0.317556D+01  0.545158D+01 -0.301559D+00
      3   0.833325D+01 -0.154405D+02 -0.200602D+02  0.153398D+01  0.227280D+01
               311           312           313           314           315 
      1  -0.140657D+01 -0.112131D+01  0.582964D+01 -0.431986D+00 -0.114887D+02
      2  -0.266923D+01 -0.900454D+00  0.227713D+01 -0.300947D+01 -0.107221D+02
      3   0.423023D+01  0.423424D+01  0.539956D+01  0.924036D+01 -0.185784D+01
               316           317           318           319           320 
      1   0.150706D+01  0.576969D+01 -0.246964D+01  0.184532D+01  0.418926D+01
      2  -0.134892D+01 -0.124556D+01  0.510477D+01  0.107808D+01  0.384140D+01
      3  -0.440537D+01 -0.141433D+02 -0.137580D+01 -0.905546D+01 -0.197875D+02
               321           322           323           324           325 
      1  -0.408796D+01  0.347471D+00  0.342451D+00  0.815406D+00 -0.243321D+01
      2   0.720039D+01  0.877350D+00  0.465421D+01  0.262017D+01  0.162344D+02
      3  -0.637692D+01 -0.396926D+00 -0.575547D+01 -0.424750D+01 -0.141251D+02
               326           327           328           329           330 
      1   0.486884D-01  0.713127D+01  0.277981D-01 -0.108337D+01 -0.136160D+01
      2  -0.790110D+01 -0.184039D+02 -0.309041D+01  0.751614D+01  0.598297D+01
      3   0.658669D+01  0.116397D+02  0.364751D+01 -0.705592D+01 -0.793327D+01
               331           332           333           334           335 
      1   0.302294D+01 -0.145825D+00 -0.832042D+01 -0.579806D+00  0.344811D+01
      2  -0.131561D+02  0.100697D+02  0.255414D+02 -0.399028D+01 -0.246192D-01
      3   0.679216D+01 -0.753603D+01 -0.141808D+02  0.108307D+00 -0.893414D+01
               336           337           338           339           340 
      1  -0.756971D+00  0.263561D+01  0.102386D+01 -0.728488D+00 -0.349116D+00
      2   0.988199D+01 -0.122749D+01  0.725060D+00 -0.702086D+00  0.610759D+01
      3   0.532056D+00 -0.432527D+01  0.123770D+01 -0.257453D+01  0.141520D+01
               341           342           343           344           345 
      1   0.721239D+00 -0.151829D+01 -0.132495D+01 -0.278215D+01  0.148542D+01
      2  -0.828952D+00  0.381110D+01  0.639067D+01  0.445186D+01 -0.117715D+02
      3   0.555120D+00  0.117967D+01  0.247312D+01  0.355986D+01 -0.359447D+01
               346           347           348           349           350 
      1  -0.115901D+01 -0.595130D+01  0.339346D+01 -0.753701D+00  0.570083D+01
      2   0.101806D+01  0.111102D+02 -0.169200D+02 -0.370996D+01 -0.134011D+02
      3   0.316433D+01  0.109353D+02 -0.106166D+02  0.138507D+00 -0.900802D+01
               351           352           353           354           355 
      1  -0.666249D+01 -0.130249D+01 -0.247568D+00  0.187896D+01  0.104164D+01
      2   0.344585D+02 -0.274088D+01  0.187094D+01  0.624351D+01  0.262693D+01
      3   0.144590D+02  0.122110D+02 -0.897718D+01 -0.168313D+01 -0.905972D+01
               356           357           358           359           360 
      1  -0.872110D+00 -0.263070D+01  0.154938D+00  0.204163D+01 -0.933703D+00
      2  -0.244826D+01 -0.415181D+01  0.604415D+01 -0.422741D+01 -0.279101D+01
      3   0.321312D+02  0.216688D+01 -0.350675D+01  0.189389D+01  0.442193D+01
               361           362           363           364           365 
      1   0.773629D+01  0.367931D+01  0.692409D+00  0.458510D+01  0.367693D+01
      2  -0.246315D+02 -0.753387D+01 -0.813801D+01 -0.772047D+01 -0.693557D+01
      3   0.953860D+01  0.334811D+01 -0.152753D+01  0.579024D+01  0.315360D+01
               366           367           368           369           370 
      1   0.924910D+00  0.551867D+00  0.247445D+01  0.121688D+01 -0.308358D+00
      2  -0.261979D+01 -0.632321D+01 -0.128816D+01 -0.339240D+01 -0.500890D+01
      3   0.254634D+01 -0.951828D+00  0.134110D+01  0.197569D+01 -0.873920D+00
               371           372           373           374           375 
      1  -0.944711D+00 -0.820892D+00 -0.167583D+01 -0.120511D+02  0.450343D+01
      2   0.178893D+01  0.606320D+00  0.129476D+01 -0.127602D+02  0.200317D+02
      3  -0.965966D+00 -0.134368D+01 -0.946498D+00 -0.162047D+02  0.131911D+02
               376           377           378           379           380 
      1   0.250561D+00  0.787141D+01 -0.436712D+01  0.805321D+01 -0.691828D+01
      2  -0.249491D-01  0.117731D+02 -0.219606D+02 -0.269747D+01  0.100880D+01
      3  -0.491149D+00  0.948510D+01 -0.114873D+02  0.940916D+01 -0.954712D+01
               381           382           383           384           385 
      1  -0.522883D+01 -0.733243D+01  0.112779D+02  0.752778D+01 -0.429219D+01
      2   0.991929D+01 -0.111488D-01 -0.725337D+01 -0.862198D+01  0.349581D+01
      3  -0.766300D+01 -0.785474D+01  0.145908D+02  0.120782D+02 -0.370149D+01
               386           387           388           389           390 
      1   0.660653D+01  0.557356D+01 -0.342127D+01 -0.159455D+01 -0.373854D+01
      2  -0.347254D+01 -0.967912D+01  0.125008D+02  0.603168D+01  0.131857D+02
      3   0.776872D+01  0.681589D+01  0.208462D+00 -0.534771D+01 -0.242400D+01
               391           392           393           394           395 
      1  -0.264800D+01 -0.184265D+01 -0.422218D+01 -0.382476D+01 -0.179782D+01
      2   0.594321D+01  0.524116D+01  0.102964D+02  0.123955D+02  0.956593D+01
      3  -0.585706D+01 -0.764421D+01 -0.336704D+01 -0.247955D+01 -0.625232D+01
               396           397           398           399           400 
      1  -0.973967D+01  0.637990D+01 -0.359179D+01 -0.273244D+01 -0.636496D+01
      2   0.321926D+02 -0.585751D+01  0.260113D+01  0.101513D+02  0.557741D+01
      3  -0.588224D+01  0.249501D+02 -0.149537D+02 -0.817283D+01 -0.224588D+02
               401           402           403           404           405 
      1   0.494882D+01  0.203338D+01 -0.462301D+01  0.270134D+01  0.251864D+01
      2  -0.532270D+01 -0.747833D+01  0.103220D+02 -0.133048D+01 -0.786106D+01
      3   0.180172D+02  0.109978D+02 -0.882276D+01  0.885773D+01  0.593113D+01
               406           407           408           409           410 
      1   0.828173D+00 -0.658992D+00 -0.789617D+00 -0.935384D+00 -0.226803D+01
      2  -0.557096D+01 -0.809544D+00  0.313636D+01 -0.487560D+01 -0.170667D+02
      3  -0.244205D+01 -0.309761D+01 -0.315246D+00 -0.111175D+02 -0.301175D+02
               411           412           413           414           415 
      1  -0.293929D+01 -0.165252D+01  0.932226D+00  0.305557D+01 -0.656139D+01
      2   0.172595D+02  0.823716D+01  0.163173D+02 -0.191935D+02  0.150413D+01
      3   0.178282D+02  0.357648D+01  0.190678D+02 -0.150270D+02 -0.250921D+02
               416           417           418           419           420 
      1   0.480358D+01  0.746949D+01  0.436349D+01 -0.718798D+01 -0.529012D+01
      2  -0.515804D+00 -0.248129D+01 -0.733458D+00  0.274323D+01  0.747353D+00
      3   0.193116D+02  0.836652D+01  0.165846D+02 -0.200613D+02 -0.795620D+01
               421           422           423           424           425 
      1   0.640529D+01 -0.510402D+01 -0.682815D+01 -0.102378D+01 -0.120037D+00
      2  -0.476785D+01  0.327230D+01  0.267021D+01  0.212979D+01 -0.259644D+00
      3   0.131138D+02 -0.144753D+02 -0.112777D+02  0.521919D+01 -0.586731D+01
               426           427           428           429           430 
      1  -0.361197D+01 -0.328911D+00 -0.268883D+01 -0.366917D+01 -0.128125D+01
      2   0.367329D+01  0.947395D+00  0.495402D+00  0.300493D+01  0.593103D+00
      3   0.172039D+01  0.158187D+01 -0.108733D+02 -0.316219D+00  0.112211D+01
               431           432           433           434           435 
      1  -0.223463D+01  0.173812D+01  0.405305D+01 -0.395210D+00  0.801672D+01
      2   0.302305D+01 -0.198966D+01 -0.667972D+01  0.212695D+01 -0.749590D+01
      3  -0.233158D+01 -0.233141D+01 -0.867381D+01  0.576101D+01 -0.730527D+01
               436           437           438           439           440 
      1   0.122077D+00  0.313074D+01 -0.391648D+00  0.592536D+01 -0.199981D+01
      2  -0.233554D+00 -0.309068D+01  0.109913D+01 -0.948666D+01  0.698956D+01
      3   0.310473D+01 -0.145402D+01  0.280335D+01 -0.831217D+01  0.839118D+01
               441           442           443           444           445 
      1   0.239876D+02  0.283764D+00  0.899079D+00 -0.835965D+00  0.163999D+01
      2  -0.214747D+02  0.500722D+01 -0.182394D+01  0.566929D+00 -0.131476D+01
      3  -0.151672D+02 -0.856478D+00 -0.933766D+00  0.138308D+01 -0.930666D+00
               446           447           448           449           450 
      1   0.120839D+02  0.448682D+01  0.266913D+00  0.785084D+01  0.434317D+01
      2   0.127562D+02  0.200281D+02 -0.904931D-01  0.117639D+02  0.219436D+02
      3  -0.162029D+02 -0.131559D+02  0.386637D+00 -0.938549D+01 -0.114696D+02
               451           452           453           454           455 
      1  -0.773214D+01 -0.369292D+01  0.671890D+00 -0.460133D+01 -0.368558D+01
      2   0.245975D+02  0.752866D+01 -0.809873D+01  0.769503D+01  0.695037D+01
      3   0.949872D+01  0.338927D+01  0.155320D+01  0.578911D+01  0.315739D+01
               456           457           458           459           460 
      1   0.911592D+00  0.555431D+00  0.247920D+01 -0.121641D+01 -0.805964D+01
      2  -0.261254D+01 -0.623554D+01 -0.130904D+01  0.331551D+01  0.267087D+01
      3  -0.254671D+01  0.103617D+01 -0.137543D+01  0.198724D+01  0.949626D+01
               461           462           463           464           465 
      1   0.690180D+01 -0.523028D+01  0.730123D+01 -0.112480D+02  0.754167D+01
      2  -0.970435D+00  0.989919D+01  0.419744D-01  0.729719D+01 -0.867253D+01
      3  -0.958503D+01  0.764156D+01 -0.780279D+01  0.145431D+02 -0.120996D+02
               466           467           468           469           470 
      1  -0.427374D+01  0.661510D+01 -0.558180D+01 -0.813824D+00  0.633876D+00
      2   0.354116D+01 -0.347424D+01  0.971925D+01  0.562133D+01  0.800905D+00
      3   0.364062D+01 -0.777302D+01  0.683688D+01 -0.254944D+01 -0.302248D+01
               471           472           473           474           475 
      1  -0.803213D+00  0.930318D+00  0.226390D+01 -0.293271D+01 -0.166776D+01
      2   0.313772D+01  0.491166D+01  0.170802D+02  0.172790D+02  0.824262D+01
      3   0.337000D+00 -0.111526D+02 -0.301328D+02 -0.178367D+02 -0.358266D+01
               476           477           478           479           480 
      1   0.929114D+00 -0.304249D+01 -0.640886D+01  0.359343D+01 -0.273636D+01
      2   0.163349D+02  0.192022D+02  0.593242D+01 -0.263235D+01  0.101726D+02
      3  -0.190697D+02 -0.150296D+02  0.248287D+02 -0.149016D+02  0.824490D+01
               481           482           483           484           485 
      1   0.638050D+01 -0.499031D+01  0.203201D+01 -0.465136D+01  0.270933D+01
      2  -0.559712D+01  0.532688D+01 -0.751442D+01  0.103579D+02 -0.134414D+01
      3  -0.225307D+02  0.180719D+02 -0.110347D+02  0.895234D+01 -0.897264D+01
               486           487           488           489           490 
      1  -0.252625D+01  0.347812D+01  0.161093D+01 -0.371227D+01  0.268011D+01
      2   0.788569D+01 -0.125464D+02 -0.605545D+01  0.131599D+02 -0.594730D+01
      3   0.598812D+01  0.258050D+00 -0.536983D+01  0.238188D+01 -0.585457D+01
               491           492           493           494           495 
      1   0.185301D+01 -0.419756D+01 -0.383755D+01 -0.179319D+01  0.971846D+01
      2  -0.523523D+01  0.102290D+02  0.123887D+02  0.955415D+01 -0.321385D+02
      3  -0.763599D+01  0.334235D+01  0.250590D+01  0.620963D+01 -0.585294D+01
               496           497           498           499           500 
      1   0.621070D+00 -0.348241D+01 -0.774947D+00 -0.267017D+01 -0.101748D+01
      2   0.394297D+01  0.927598D-01  0.986565D+01  0.127100D+01 -0.745645D+00
      3   0.747657D-01 -0.891474D+01 -0.587572D+00 -0.426323D+01  0.122171D+01
               501           502           503           504           505 
      1  -0.734012D+00 -0.338072D+00  0.769126D+00  0.151199D+01  0.131699D+01
      2  -0.709983D+00  0.607150D+01 -0.906926D+00 -0.375396D+01 -0.635485D+01
      3   0.260056D+01 -0.123701D+01 -0.622614D+00  0.119152D+01  0.243473D+01
               506           507           508           509           510 
      1   0.278754D+01  0.148381D+01  0.110899D+01  0.591057D+01  0.338483D+01
      2  -0.446967D+01 -0.117208D+02 -0.965965D+00 -0.111299D+02 -0.168868D+02
      3   0.359754D+01  0.360462D+01  0.303814D+01  0.110253D+02  0.106352D+02
               511           512           513           514           515 
      1  -0.803827D+00  0.567473D+01  0.664205D+01  0.243416D+01 -0.407778D-01
      2  -0.364438D+01 -0.133824D+02 -0.344807D+02 -0.162200D+02  0.790379D+01
      3  -0.829421D-01  0.900230D+01  0.144873D+02 -0.141402D+02  0.662469D+01
               516           517           518           519           520 
      1   0.712979D+01 -0.491027D-01  0.107030D+01 -0.136639D+01  0.302992D+01
      2  -0.184437D+02  0.308305D+01 -0.751193D+01  0.599016D+01 -0.130963D+02
      3  -0.116517D+02  0.371537D+01 -0.709344D+01  0.795045D+01 -0.675061D+01
               521           522           523           524           525 
      1  -0.147447D+00  0.832948D+01 -0.153369D+01 -0.577404D+01 -0.246970D+01
      2   0.100837D+02 -0.255564D+02  0.137107D+01  0.126364D+01  0.510787D+01
      3   0.754847D+01 -0.141794D+02 -0.436794D+01 -0.141876D+02  0.138456D+01
               526           527           528           529           530 
      1  -0.185052D+01 -0.419764D+01 -0.406222D+01  0.350944D+00  0.318197D+00
      2  -0.109504D+01 -0.379671D+01  0.719534D+01  0.957626D+00  0.463599D+01
      3  -0.899357D+01 -0.198445D+02  0.635592D+01  0.393419D+00  0.575874D+01
               531           532           533           534           535 
      1  -0.816848D+00  0.130772D+01  0.258307D+00  0.187426D+01 -0.109612D+01
      2  -0.263785D+01  0.267408D+01 -0.185951D+01  0.627360D+01 -0.262418D+01
      3  -0.420806D+01  0.122376D+02 -0.897778D+01  0.166286D+01 -0.910842D+01
               536           537           538           539           540 
      1   0.835794D+00 -0.263053D+01  0.136518D+00  0.206809D+01  0.932229D+00
      2   0.250969D+01 -0.413766D+01  0.592547D+01 -0.415358D+01  0.284547D+01
      3   0.321487D+02 -0.218185D+01  0.368451D+01 -0.208114D+01  0.437654D+01
               541           542           543           544           545 
      1   0.985025D+00  0.686355D-01 -0.361135D+01  0.366050D+00  0.271998D+01
      2  -0.214269D+01  0.266140D+00  0.368285D+01 -0.982960D+00 -0.532630D+00
      3   0.514649D+01 -0.582299D+01 -0.170430D+01  0.161567D+01 -0.108386D+02
               546           547           548           549           550 
      1  -0.365017D+01 -0.128378D+01 -0.222475D+01 -0.175386D+01  0.653333D+01
      2   0.301179D+01  0.584713D+00  0.301223D+01  0.199501D+01 -0.151425D+01
      3   0.319799D+00 -0.116024D+01  0.236417D+01 -0.232504D+01 -0.249522D+02
               551           552           553           554           555 
      1  -0.480809D+01  0.747357D+01 -0.439199D+01  0.719065D+01 -0.530688D+01
      2   0.517756D+00 -0.247969D+01  0.722825D+00 -0.274037D+01  0.767631D+00
      3   0.192351D+02 -0.834440D+01  0.165846D+02 -0.200685D+02  0.796197D+01
               556           557           558           559           560 
      1   0.640431D+01 -0.512590D+01  0.686574D+01 -0.405301D+01  0.435293D+00
      2  -0.478807D+01  0.327366D+01 -0.270583D+01  0.668115D+01 -0.213945D+01
      3  -0.130964D+02  0.144959D+02 -0.113221D+02 -0.874175D+01  0.575382D+01
               561           562           563           564           565 
      1   0.800364D+01 -0.117077D+00 -0.315580D+01 -0.382812D+00  0.594784D+01
      2  -0.747046D+01  0.216152D+00  0.311268D+01  0.111891D+01 -0.951255D+01
      3   0.732486D+01  0.316384D+01 -0.147447D+01 -0.283829D+01  0.833924D+01
               566           567 
      1  -0.200302D+01 -0.239463D+02
      2   0.699428D+01  0.214379D+02
      3  -0.842179D+01 -0.151829D+02
 Property number 4 -- D-Q polarizability derivatives, frequency  1    0.085645:
                 1             2             3             4             5 
      1  -0.103815D+03 -0.137744D+02  0.292231D+02 -0.127199D+02  0.305175D+02
      2   0.617608D+02  0.170765D+02 -0.881434D+01  0.762850D+01 -0.187374D+02
      3   0.420540D+02 -0.330216D+01 -0.204088D+02  0.509140D+01 -0.117801D+02
      4  -0.923373D+01  0.132814D+02  0.639903D+01  0.229696D+02 -0.976456D+01
      5   0.403114D+02  0.756869D+01  0.136045D+02  0.631178D+00 -0.234001D+01
      6   0.166202D-01 -0.514383D+01 -0.252867D+01 -0.497737D+01  0.257168D+01
                 6             7             8             9            10 
      1   0.106626D+02 -0.171003D+01  0.566140D+01  0.256186D+02 -0.759816D+01
      2   0.481374D+01  0.928359D+01  0.761244D+01 -0.860359D+01  0.726216D+01
      3  -0.154763D+02 -0.757356D+01 -0.132738D+02 -0.170150D+02  0.335998D+00
      4   0.320195D+01 -0.491231D+01 -0.433662D+01  0.333989D+02  0.954937D+01
      5   0.336769D+02  0.258295D+02  0.346393D+02 -0.472098D+01 -0.166775D+01
      6  -0.166423D+00  0.316177D+01  0.282948D+01 -0.122283D+02  0.265302D+01
                11            12            13            14            15 
      1   0.817209D+01 -0.652858D+01  0.152773D+02 -0.413118D+02  0.100099D+02
      2  -0.122516D+01  0.305289D+01 -0.242384D+01  0.228712D+02 -0.794927D+01
      3  -0.694693D+01  0.347569D+01 -0.128535D+02  0.184405D+02 -0.206064D+01
      4  -0.289421D+02  0.801914D+01 -0.492668D+02  0.455106D+01 -0.221761D+02
      5   0.125790D+02 -0.196748D+02  0.139276D+02 -0.197759D+02 -0.435149D+02
      6   0.265509D+01 -0.215785D+01 -0.142352D+01 -0.101442D+01 -0.751673D+01
                16            17            18            19            20 
      1   0.440042D+01  0.968013D+01 -0.318065D+02  0.734190D+02  0.543825D+02
      2  -0.779540D+01 -0.940597D+01  0.220610D+02 -0.499405D+02 -0.425678D+02
      3   0.339497D+01 -0.274151D+00  0.974551D+01 -0.234785D+02 -0.118147D+02
      4   0.650069D+01 -0.948160D+01 -0.297002D+02  0.423166D+02  0.778485D+02
      5  -0.485517D+02 -0.333416D+02  0.556376D+01 -0.499127D+01  0.210039D+01
      6  -0.633989D+01 -0.669702D+01  0.984912D+00 -0.204103D+01 -0.569270D+01
                21            22            23            24            25 
      1   0.272757D+01  0.158374D+02  0.315118D+02 -0.169707D+01 -0.489159D+01
      2  -0.179826D+01 -0.561286D+01 -0.107254D+02  0.165792D+01  0.289289D+01
      3  -0.929315D+00 -0.102245D+02 -0.207864D+02  0.391507D-01  0.199870D+01
      4   0.641636D+01  0.285160D+02  0.952405D+02  0.141531D+02  0.502782D+00
      5   0.154873D+02 -0.384884D+01  0.119861D+02  0.178489D+02  0.310466D+02
      6  -0.304738D+00  0.108748D+01 -0.435476D+01  0.791395D+01 -0.506913D+00
                26            27            28            29            30 
      1   0.906998D+00  0.158772D+02 -0.754027D+01  0.252882D+02 -0.389462D-01
      2  -0.806510D+00 -0.173101D+02  0.967942D+00 -0.232034D+02 -0.205524D+01
      3  -0.100488D+00  0.143285D+01  0.657233D+01 -0.208482D+01  0.209419D+01
      4   0.124024D+02  0.110575D+02  0.456652D+01  0.395016D+02  0.326326D+00
      5   0.161596D+02  0.641739D+01 -0.623983D+01 -0.304969D+01 -0.160863D+02
      6   0.760247D+01  0.141931D+01 -0.890772D+01 -0.886097D+01 -0.137561D+01
                31            32            33            34            35 
      1   0.506926D+02  0.488273D+02  0.212887D+00  0.774504D+01 -0.254854D+01
      2  -0.481857D+02 -0.485764D+02  0.174211D+01 -0.985790D+01 -0.262009D+01
      3  -0.250691D+01 -0.250909D+00 -0.195500D+01  0.211285D+01  0.516864D+01
      4   0.323791D+02  0.201218D+02  0.314416D+00 -0.869987D+01  0.249536D+01
      5  -0.983257D+01 -0.319578D+01  0.116299D+01  0.124297D+02  0.168090D+02
      6  -0.965635D+01 -0.729947D+01 -0.667030D+01  0.192386D+01  0.282769D+01
                36            37            38            39            40 
      1   0.392678D+01 -0.410097D+02  0.109482D+02 -0.130343D+02  0.535206D+02
      2  -0.115010D+02  0.445571D+02  0.281696D+01  0.128568D+02 -0.258809D+02
      3   0.757425D+01 -0.354737D+01 -0.137651D+02  0.177571D+00 -0.276397D+02
      4   0.144419D+02  0.148276D+02  0.159081D+02  0.143986D+02  0.274428D+02
      5   0.432492D+01 -0.701852D+01  0.229070D+02 -0.279544D+02  0.279240D+02
      6  -0.432055D+01  0.676698D+01  0.745130D+01 -0.742899D+01  0.518363D+01
                41            42            43            44            45 
      1   0.858301D+01  0.276829D+02 -0.129408D+02  0.303824D+02 -0.449067D+02
      2   0.915519D+00 -0.228281D+02  0.122397D+02 -0.255988D+02  0.322923D+02
      3  -0.949853D+01 -0.485477D+01  0.701099D+00 -0.478353D+01  0.126145D+02
      4   0.228767D+01 -0.110196D+02  0.353760D+02  0.341580D+01 -0.203836D+02
      5  -0.141470D+02  0.182494D+02 -0.535204D+02 -0.160983D+02  0.213892D+02
      6  -0.524004D+01  0.441732D+01 -0.197638D+02 -0.628538D+01  0.155158D+02
                46            47            48            49            50 
      1   0.134046D+02 -0.217725D+02  0.255247D+02 -0.245177D+02 -0.374960D+02
      2  -0.163488D+02 -0.698121D+01 -0.431894D+01  0.696856D-01  0.160830D+02
      3   0.294417D+01  0.287537D+02 -0.212058D+02  0.244480D+02  0.214130D+02
      4  -0.349384D+02 -0.493423D+02  0.447920D+01 -0.577488D+02 -0.173457D+02
      5   0.156222D+02  0.388415D+01  0.208813D+02  0.884469D+01  0.267837D+02
      6   0.154594D+02  0.920826D+01  0.168466D+02  0.145167D+02  0.110935D+02
                51            52            53            54            55 
      1  -0.540766D+01  0.483499D+01 -0.215470D+02  0.441355D+02 -0.228085D+02
      2   0.420083D+01  0.620353D+01  0.131812D+02 -0.286334D+02 -0.632727D+01
      3   0.120682D+01 -0.110385D+02  0.836574D+01 -0.155020D+02  0.291358D+02
      4   0.200957D+02 -0.196502D+02 -0.608441D+01  0.949280D+01 -0.506517D+02
      5  -0.752452D+01  0.397113D+02  0.428331D+01 -0.267858D+02  0.115629D+02
      6  -0.864802D+01  0.224353D+02 -0.401801D+01 -0.537265D+01 -0.684554D+01
                56            57            58            59            60 
      1  -0.614424D+02  0.115390D+02 -0.803107D+02  0.106091D+02 -0.296032D+02
      2   0.382487D+02 -0.187719D+02  0.488810D+02 -0.149948D+02  0.156329D+02
      3   0.231936D+02  0.723290D+01  0.314297D+02  0.438566D+01  0.139703D+02
      4  -0.731177D+01 -0.150164D+02  0.631380D+01  0.142217D+02  0.295329D+02
      5  -0.242704D+02  0.410543D+02 -0.278072D+02  0.334637D+02  0.254163D+02
      6  -0.143717D+01  0.378635D+01  0.179859D+01  0.374666D+01  0.127018D+02
                61            62            63            64            65 
      1   0.295030D+02 -0.240445D+02  0.505072D+02  0.153482D+02 -0.280190D+01
      2  -0.271945D+02  0.158588D+02 -0.209541D+02 -0.155761D+02  0.503681D+01
      3  -0.230846D+01  0.818564D+01 -0.295531D+02  0.227952D+00 -0.223491D+01
      4  -0.683106D+01  0.298851D+02  0.336167D+02  0.672368D+01 -0.426793D+02
      5   0.523827D+02  0.246382D+02 -0.682794D+00  0.654965D+01 -0.693406D+01
      6   0.795641D+01  0.101363D+02  0.464333D+01  0.559256D+01  0.605247D+01
                66            67            68            69            70 
      1   0.426034D+01  0.439364D+01 -0.158318D+02 -0.145791D+01  0.323344D+01
      2  -0.174180D+01 -0.352483D+01  0.179897D+02  0.555145D+00 -0.254036D+01
      3  -0.251853D+01 -0.868807D+00 -0.215793D+01  0.902766D+00 -0.693078D+00
      4  -0.709989D+01  0.108265D+02  0.236885D+02  0.201608D+01  0.181447D+01
      5   0.181212D+02  0.341550D+01  0.315239D+01  0.448579D+01  0.187607D+01
      6   0.196339D+00  0.256026D+01  0.628998D+00  0.554490D+01 -0.572198D+00
                71            72            73            74            75 
      1   0.812465D-01 -0.349954D+01 -0.594124D+02  0.871282D+00  0.316456D-01
      2   0.434503D-02  0.107798D+01  0.314598D+02 -0.475559D+01  0.426419D-01
      3  -0.855915D-01  0.242156D+01  0.279526D+02  0.388430D+01 -0.742876D-01
      4  -0.107584D+01  0.409969D+01 -0.322659D+01 -0.286696D+02 -0.142889D-01
      5   0.188092D+01  0.148714D+01  0.664343D-01 -0.322340D-02 -0.261931D+02
      6   0.732396D+01  0.999429D+00  0.259196D-01  0.587260D-01 -0.497109D+01
                76            77            78            79            80 
      1  -0.288755D+01 -0.105732D+02 -0.124011D+00  0.109054D+00 -0.945269D-01
      2   0.687767D+01  0.883485D+01  0.687779D-01 -0.702493D-01  0.121112D-01
      3  -0.399012D+01  0.173833D+01  0.552327D-01 -0.388051D-01  0.824156D-01
      4  -0.163631D+02  0.157986D+02  0.356766D-01 -0.130473D+00  0.954195D-01
      5  -0.551908D-01  0.856966D-01  0.274993D+01  0.690826D+01  0.176032D+01
      6   0.160144D-01  0.756902D-01  0.255499D+01  0.257716D+01  0.626393D+01
                81            82            83            84            85 
      1  -0.224559D+02 -0.363708D+02 -0.645883D+02 -0.129678D+02  0.511995D+01
      2  -0.147578D+01  0.307490D+02  0.572667D+02  0.784191D+01 -0.157887D+01
      3   0.239317D+02  0.562180D+01  0.732162D+01  0.512592D+01 -0.354108D+01
      4  -0.393547D+00 -0.428033D+02 -0.597407D+00 -0.308172D+01  0.190515D+02
      5   0.360540D-01 -0.690783D+01 -0.190681D+01  0.250473D+02  0.197039D+01
      6   0.274737D-01  0.836509D+01  0.214321D+01  0.117112D+02 -0.520362D+01
                86            87            88            89            90 
      1  -0.931942D+01 -0.855981D+00  0.254667D+00  0.947030D+00 -0.856188D+01
      2   0.115101D+02  0.238343D+00 -0.206663D+01 -0.280553D+01  0.450157D+01
      3  -0.219070D+01  0.617638D+00  0.181197D+01  0.185850D+01  0.406031D+01
      4   0.205201D+01  0.637123D+00  0.320392D+01  0.291603D+01 -0.228904D+01
      5  -0.333868D+00 -0.204077D+01  0.946144D+00  0.195425D+01  0.958004D-01
      6   0.227431D+01  0.375245D+01  0.511476D+01  0.886447D+01  0.194910D+01
                91            92            93            94            95 
      1  -0.573405D+01  0.191929D+02  0.485663D+01 -0.896913D+02 -0.977715D+02
      2  -0.566110D+01 -0.177881D+02 -0.239429D+01  0.769100D+02  0.709972D+02
      3   0.113951D+02 -0.140481D+01 -0.246234D+01  0.127812D+02  0.267743D+02
      4   0.277263D+02 -0.489645D+02 -0.355965D+01 -0.944628D+02 -0.153999D+03
      5   0.405167D+01 -0.317385D+01 -0.283961D+02 -0.901414D+01 -0.143302D+02
      6  -0.714779D+01  0.204443D+01 -0.803928D+01  0.853148D+01  0.517415D+01
                96            97            98            99           100 
      1  -0.977812D+01 -0.183373D+02 -0.141728D+02 -0.260875D+02 -0.212473D+02
      2   0.776321D+01  0.133318D+02  0.740564D+01  0.126604D+02  0.198944D+02
      3   0.201491D+01  0.500549D+01  0.676711D+01  0.134271D+02  0.135289D+01
      4  -0.178814D+02 -0.127895D+02 -0.197387D+02 -0.273795D+02 -0.276945D+02
      5  -0.234905D+02 -0.910434D+01 -0.262082D+02 -0.107116D+02 -0.697210D+00
      6  -0.742862D+00  0.500826D+01  0.130357D+02  0.229460D+01 -0.397468D+00
               101           102           103           104           105 
      1  -0.195257D+02  0.538746D+00  0.277449D+02  0.470738D+02  0.934480D+01
      2   0.112524D+02 -0.293216D+01 -0.399074D+02 -0.383290D+02 -0.525610D+01
      3   0.827326D+01  0.239341D+01  0.121624D+02 -0.874473D+01 -0.408870D+01
      4  -0.226868D+02 -0.329637D+01  0.524891D+02  0.123137D+02  0.148827D+00
      5  -0.120941D+01 -0.129763D+02  0.966000D+01  0.621871D+00 -0.489020D+01
      6  -0.305747D+01  0.856701D+01 -0.962709D+01  0.440040D+00 -0.778535D+01
               106           107           108           109           110 
      1   0.933763D+01  0.192327D+01 -0.424317D+01  0.218131D+02  0.114522D+02
      2  -0.112474D+02  0.256254D+01 -0.924530D+00 -0.113507D+02 -0.185359D+02
      3   0.190979D+01 -0.448581D+01  0.516770D+01 -0.104624D+02  0.708376D+01
      4   0.554514D+01 -0.973183D+01  0.124049D+02 -0.971484D+01  0.377126D+02
      5  -0.995676D+01  0.813851D+01 -0.161479D+01  0.127775D+02 -0.279901D+01
      6   0.749853D+01 -0.125553D+02  0.203131D+00 -0.111506D+02  0.246969D+01
               111           112           113           114           115 
      1   0.107776D+02 -0.383691D+01 -0.174444D+02  0.300912D+01  0.106222D+02
      2  -0.555049D+01 -0.424293D+00  0.285741D+02 -0.785424D+01 -0.788074D+01
      3  -0.522714D+01  0.426120D+01 -0.111297D+02  0.484512D+01 -0.274144D+01
      4  -0.818786D+01  0.724522D+01 -0.351232D+02  0.994447D+01 -0.704495D+01
      5   0.109957D+02 -0.415687D+01  0.888207D+01 -0.462153D+01  0.140660D+02
      6  -0.787023D+01  0.421357D+01 -0.114922D+02  0.104844D+02 -0.115083D+02
               116           117           118           119           120 
      1   0.166107D+02  0.221298D+00  0.100295D+02 -0.321436D+02  0.647622D+01
      2  -0.205817D+02  0.967567D+00 -0.338467D+02  0.555695D+01 -0.207229D+02
      3   0.397106D+01 -0.118886D+01  0.238173D+02  0.265866D+02  0.142467D+02
      4   0.303744D+02 -0.169044D+02 -0.431649D+02 -0.448850D+02 -0.881379D+01
      5  -0.124796D+02  0.280735D+02 -0.250796D+00 -0.167565D+02  0.207973D+02
      6   0.174831D+02 -0.271609D+02 -0.103573D+00 -0.153122D+02  0.177917D+02
               121           122           123           124           125 
      1  -0.257842D+02 -0.198832D+02 -0.220169D+02  0.702352D+01 -0.211773D+02
      2   0.666557D+01  0.533625D+01  0.219846D+02 -0.185455D+02  0.269248D+02
      3   0.191186D+02  0.145469D+02  0.322338D-01  0.115220D+02 -0.574752D+01
      4  -0.391081D+02 -0.134523D+02  0.218076D+01 -0.903526D+01  0.283916D+01
      5  -0.166699D+02  0.802145D+01 -0.439461D+01  0.205700D+02 -0.376037D+01
      6  -0.119103D+02  0.138372D+02 -0.137427D+01  0.185914D+02 -0.481661D+01
               126           127           128           129           130 
      1   0.336996D+02  0.129140D+02  0.627568D+02 -0.813450D+01  0.900295D+02
      2  -0.109976D+02  0.558423D+01 -0.381610D+02  0.134831D+02 -0.568709D+02
      3  -0.227020D+02 -0.184982D+02 -0.245959D+02 -0.534863D+01 -0.331586D+02
      4   0.120747D+02  0.613090D+02 -0.783975D+00  0.226810D+02 -0.250880D+02
      5  -0.184902D+02 -0.776233D+01  0.279167D+02 -0.320962D+02  0.327057D+02
      6  -0.235146D+02  0.971159D+01  0.772766D+00 -0.260776D+01 -0.622848D+01
               131           132           133           134           135 
      1  -0.177232D+02  0.414791D+02 -0.119048D+02  0.311942D+02 -0.402435D+02
      2   0.102832D+02 -0.254145D+02  0.150301D+02 -0.190544D+02  0.912635D+01
      3   0.743999D+01 -0.160646D+02 -0.312524D+01 -0.121398D+02  0.311171D+02
      4  -0.236091D+02 -0.351045D+02  0.153321D+02 -0.335009D+02 -0.431557D+02
      5  -0.397487D+02 -0.275909D+02 -0.451423D+02 -0.343485D+02  0.116843D+02
      6  -0.135846D+02 -0.189555D+02 -0.889651D+01 -0.186659D+02 -0.309851D+01
               136           137           138           139           140 
      1   0.359652D+02  0.362856D+02 -0.751904D+01  0.448108D+02  0.354236D-01
      2  -0.859890D+01 -0.260296D+02  0.138301D+02 -0.304912D+02  0.142320D+02
      3  -0.273663D+02 -0.102560D+02 -0.631110D+01 -0.143195D+02 -0.142675D+02
      4   0.405866D+02 -0.464821D+01  0.184922D+02 -0.148154D+02 -0.740662D+01
      5  -0.222842D+00  0.318541D+02 -0.305730D+02  0.334538D+02 -0.419768D+02
      6   0.164468D+02 -0.544170D+01  0.594190D+01 -0.115008D+02 -0.942704D+01
               141           142           143           144           145 
      1   0.324263D+02 -0.472265D+01  0.252134D+02 -0.267052D+02  0.151633D+02
      2  -0.117398D+02  0.139722D+02 -0.641642D+01  0.494785D+01 -0.154565D+02
      3  -0.206865D+02 -0.924950D+01 -0.187970D+02  0.217574D+02  0.293218D+00
      4  -0.377096D+02  0.121289D+02 -0.257116D+02 -0.205532D+02  0.698610D+01
      5  -0.998853D+01 -0.299984D+02 -0.135318D+02 -0.288199D+00 -0.658596D+01
      6  -0.300526D+02  0.200687D+01 -0.213325D+02 -0.108537D+02 -0.568909D+01
               146           147           148           149           150 
      1  -0.264103D+01 -0.439624D+01  0.451116D+01 -0.158985D+02  0.149493D+01
      2   0.497380D+01  0.175324D+01 -0.355985D+01  0.180047D+02 -0.553477D+00
      3  -0.233278D+01  0.264299D+01 -0.951310D+00 -0.210622D+01 -0.941450D+00
      4  -0.426850D+02  0.703591D+01  0.107497D+02  0.238134D+02 -0.204606D+01
      5   0.685306D+01  0.180722D+02 -0.336408D+01 -0.319895D+01  0.453492D+01
      6  -0.604570D+01  0.184373D+00 -0.254907D+01 -0.644283D+00  0.554656D+01
               151           152           153           154           155 
      1  -0.329117D+01  0.580629D-02 -0.348498D+01 -0.771922D+01  0.251268D+02
      2   0.253985D+01 -0.447395D-01  0.107381D+01  0.108839D+01 -0.230668D+02
      3   0.751317D+00  0.389332D-01  0.241117D+01  0.663083D+01 -0.205996D+01
      4  -0.174052D+01  0.937842D+00  0.408847D+01  0.442260D+01  0.396218D+02
      5   0.187820D+01  0.187045D+01 -0.149324D+01  0.621549D+01  0.309436D+01
      6  -0.571230D+00  0.732019D+01 -0.100933D+01  0.896853D+01  0.878019D+01
               156           157           158           159           160 
      1   0.100704D+00  0.507325D+02  0.488057D+02 -0.152201D+00 -0.758412D+01
      2   0.204823D+01 -0.481930D+02 -0.485198D+02 -0.180588D+01  0.980213D+01
      3  -0.214894D+01 -0.253950D+01 -0.285860D+00  0.195808D+01 -0.221801D+01
      4  -0.241263D+00  0.322562D+02  0.201688D+02 -0.296668D+00  0.833609D+01
      5  -0.161444D+02  0.990332D+01  0.322345D+01  0.113028D+01  0.125445D+02
      6  -0.145344D+01  0.970804D+01  0.728873D+01 -0.676868D+01  0.192980D+01
               161           162           163           164           165 
      1   0.229069D+01  0.404634D+01 -0.411551D+02  0.110177D+02  0.130660D+02
      2   0.269969D+01 -0.114964D+02  0.446038D+02  0.270600D+01 -0.129134D+02
      3  -0.499038D+01  0.745006D+01 -0.344866D+01 -0.137237D+02 -0.152578D+00
      4  -0.225655D+01  0.144217D+02  0.148364D+02  0.157292D+02 -0.143049D+02
      5   0.167733D+02 -0.436900D+01  0.711551D+01 -0.227734D+02 -0.278453D+02
      6   0.286873D+01  0.432160D+01 -0.668552D+01 -0.744971D+01 -0.737962D+01
               166           167           168           169           170 
      1   0.534639D+02  0.861599D+01 -0.277138D+02  0.131417D+02 -0.304310D+02
      2  -0.258328D+02  0.929759D+00  0.228307D+02 -0.123161D+02  0.256469D+02
      3  -0.276311D+02 -0.954575D+01  0.488311D+01 -0.825611D+00  0.478416D+01
      4   0.273746D+02  0.237013D+01  0.110254D+02 -0.353679D+02 -0.345666D+01
      5  -0.279638D+02  0.141765D+02  0.181812D+02 -0.534160D+02 -0.161659D+02
      6  -0.520136D+01  0.526517D+01  0.430870D+01 -0.197169D+02 -0.637586D+01
               171           172           173           174           175 
      1  -0.447991D+02 -0.227987D+02 -0.614751D+02 -0.118313D+02 -0.799756D+02
      2   0.321326D+02 -0.633028D+01  0.382770D+02  0.188649D+02  0.486860D+02
      3   0.126665D+02  0.291290D+02  0.231981D+02 -0.703365D+01  0.312896D+02
      4  -0.204690D+02 -0.506241D+02 -0.739394D+01  0.150053D+02  0.595304D+01
      5  -0.215381D+02 -0.117602D+02  0.242951D+02  0.409350D+02  0.278213D+02
      6  -0.155830D+02  0.681450D+01  0.145560D+01  0.378953D+01 -0.181033D+01
               176           177           178           179           180 
      1   0.102890D+02  0.296881D+02 -0.295140D+02  0.237699D+02  0.503646D+02
      2  -0.148739D+02 -0.155806D+02  0.271177D+02 -0.157370D+02 -0.208981D+02
      3   0.458486D+01 -0.141075D+02  0.239631D+01 -0.803295D+01 -0.294666D+02
      4   0.145722D+02 -0.295433D+02  0.651149D+01 -0.297596D+02  0.336758D+02
      5  -0.335275D+02  0.256819D+02  0.522670D+02  0.247101D+02  0.920011D+00
      6  -0.372469D+01  0.127351D+02  0.795735D+01  0.101405D+02 -0.456128D+01
               181           182           183           184           185 
      1  -0.759594D+01  0.833292D+01  0.670660D+01  0.158053D+02 -0.416721D+02
      2   0.718754D+01 -0.132275D+01 -0.317072D+01 -0.266847D+01  0.231125D+02
      3   0.408404D+00 -0.701017D+01 -0.353588D+01 -0.131369D+02  0.185596D+02
      4   0.956794D+01 -0.290299D+02 -0.811908D+01 -0.496414D+02  0.477477D+01
      5   0.188510D+01 -0.126704D+02 -0.195199D+02 -0.139972D+02  0.197541D+02
      6  -0.263961D+01 -0.265959D+01 -0.224154D+01  0.138866D+01  0.102310D+01
               186           187           188           189           190 
      1  -0.100217D+02 -0.525200D+01 -0.889636D+01 -0.317630D+02  0.725196D+02
      2   0.794582D+01  0.808060D+01  0.913573D+01  0.220731D+02 -0.495351D+02
      3   0.207593D+01 -0.282860D+01 -0.239366D+00  0.968995D+01 -0.229845D+02
      4   0.221578D+02 -0.550506D+01  0.855069D+01 -0.296360D+02  0.430580D+02
      5  -0.434464D+02 -0.485538D+02 -0.333170D+02 -0.569020D+01  0.497386D+01
      6  -0.750105D+01 -0.631131D+01 -0.670679D+01 -0.981385D+00  0.206883D+01
               191           192           193           194           195 
      1   0.549056D+02 -0.274783D+01  0.151930D+02  0.320852D+02  0.183673D+01
      2  -0.427112D+02  0.179283D+01 -0.535436D+01 -0.110737D+02 -0.177183D+01
      3  -0.121944D+02  0.954996D+00 -0.983865D+01 -0.210114D+02 -0.648993D-01
      4   0.771308D+02 -0.639277D+01  0.289339D+02  0.946802D+02 -0.141862D+02
      5  -0.206188D+01  0.152852D+02  0.402636D+01 -0.119819D+02  0.176980D+02
      6   0.570777D+01 -0.298824D+00 -0.109511D+01  0.428548D+01  0.790258D+01
               196           197           198           199           200 
      1   0.481252D+01 -0.728210D+00  0.159532D+02 -0.103758D+03 -0.137385D+02
      2  -0.288766D+01  0.668378D+00 -0.173567D+02  0.617922D+02  0.171378D+02
      3  -0.192486D+01  0.598321D-01  0.140354D+01  0.419655D+02 -0.339935D+01
      4  -0.341098D+00 -0.124153D+02  0.110139D+02 -0.912537D+01  0.131231D+02
      5   0.310676D+02  0.160746D+02 -0.641209D+01 -0.404715D+02 -0.761893D+01
      6  -0.510731D+00  0.757836D+01 -0.141569D+01  0.128680D-01  0.512775D+01
               201           202           203           204           205 
      1  -0.293621D+02 -0.127356D+02  0.306705D+02 -0.108111D+02  0.972415D+00
      2   0.885176D+01  0.765461D+01 -0.188209D+02 -0.478055D+01 -0.895205D+01
      3   0.205103D+02  0.508101D+01 -0.118496D+02  0.155916D+02  0.797964D+01
      4  -0.645507D+01  0.231291D+02 -0.975248D+01 -0.299152D+01  0.518911D+01
      5   0.135748D+02 -0.817812D+00  0.254509D+01  0.336877D+02  0.256893D+02
      6  -0.251247D+01  0.502502D+01 -0.255836D+01 -0.114959D+00  0.312445D+01
               206           207           208           209           210 
      1  -0.550321D+01  0.254783D+02  0.129691D+02 -0.214520D+02 -0.255042D+02
      2  -0.770421D+01 -0.852366D+01 -0.161310D+02 -0.709075D+01  0.432277D+01
      3   0.132074D+02 -0.169546D+02  0.316195D+01  0.285428D+02  0.211814D+02
      4   0.399955D+01  0.333109D+02 -0.345165D+02 -0.497109D+02 -0.455464D+01
      5   0.345726D+02  0.472337D+01 -0.155385D+02 -0.396459D+01  0.207510D+02
      6   0.286686D+01  0.122834D+02 -0.155059D+02 -0.922773D+01  0.168561D+02
               211           212           213           214           215 
      1  -0.244307D+02 -0.373781D+02  0.532233D+01 -0.511446D+01  0.218186D+02
      2   0.790545D-02  0.159719D+02 -0.424221D+01 -0.607283D+01 -0.132608D+02
      3   0.244228D+02  0.214063D+02 -0.108012D+01  0.111873D+02 -0.855780D+01
      4  -0.575838D+02 -0.174877D+02 -0.200501D+02  0.199320D+02  0.575057D+01
      5  -0.880476D+01 -0.267110D+02 -0.749855D+01  0.396692D+02  0.426814D+01
      6  -0.145171D+02 -0.111070D+02 -0.856540D+01  0.224496D+02 -0.400409D+01
               216           217           218           219           220 
      1   0.440602D+02  0.357061D+02  0.368132D+02  0.761580D+01  0.447840D+02
      2  -0.286656D+02 -0.849738D+01 -0.261954D+02 -0.138484D+02 -0.304497D+02
      3  -0.153946D+02 -0.272087D+02 -0.106177D+02  0.623256D+01 -0.143343D+02
      4   0.952458D+01  0.409695D+02 -0.513424D+01 -0.183431D+02 -0.148283D+02
      5   0.268030D+02  0.250956D+00 -0.317567D+02 -0.306177D+02 -0.334346D+02
      6   0.536122D+01 -0.163954D+02  0.551042D+01  0.582067D+01  0.115868D+02
               221           222           223           224           225 
      1  -0.102922D-01 -0.323388D+02  0.494432D+01 -0.250691D+02 -0.267419D+02
      2   0.143275D+02  0.116711D+02 -0.140741D+02  0.634641D+01  0.498033D+01
      3  -0.143172D+02  0.206677D+02  0.912983D+01  0.187227D+02  0.217615D+02
      4  -0.741763D+01  0.378019D+02 -0.118717D+02  0.257074D+02 -0.206559D+02
      5   0.421164D+02 -0.101729D+02 -0.300422D+02 -0.136633D+02  0.182605D+00
      6   0.935921D+01 -0.301031D+02  0.188234D+01 -0.212761D+02  0.108529D+02
               226           227           228           229           230 
      1   0.132087D+02  0.623341D+02  0.847098D+01  0.902883D+02 -0.179187D+02
      2   0.551953D+01 -0.380038D+02 -0.135306D+02 -0.569376D+02  0.102940D+02
      3  -0.187282D+02 -0.243303D+02  0.505965D+01 -0.333507D+02  0.762465D+01
      4   0.607099D+02 -0.358696D+00 -0.226134D+02 -0.251901D+02 -0.234715D+02
      5   0.802218D+01 -0.278533D+02 -0.319236D+02 -0.323684D+02  0.395172D+02
      6  -0.959096D+01 -0.821915D+00 -0.250788D+01  0.622282D+01  0.135702D+02
               231           232           233           234           235 
      1  -0.411514D+02  0.118762D+02 -0.309689D+02 -0.401243D+02  0.102169D+02
      2   0.252711D+02 -0.149834D+02  0.189254D+02  0.899867D+01 -0.339050D+02
      3   0.158804D+02  0.310716D+01  0.120435D+02  0.311257D+02  0.236881D+02
      4   0.348884D+02 -0.150425D+02  0.333603D+02 -0.432930D+02 -0.431638D+02
      5  -0.277711D+02 -0.450989D+02 -0.345273D+02 -0.119558D+02  0.126577D+00
      6  -0.189205D+02 -0.895985D+01 -0.186579D+02  0.306031D+01  0.246336D-01
               236           237           238           239           240 
      1  -0.322645D+02 -0.649587D+01 -0.263170D+02 -0.193843D+02  0.220208D+02
      2   0.565189D+01  0.207379D+02  0.678982D+01  0.502832D+01 -0.219541D+02
      3   0.266127D+02 -0.142421D+02  0.195272D+02  0.143560D+02 -0.666727D-01
      4  -0.446441D+02  0.876514D+01 -0.386067D+02 -0.140136D+02 -0.225620D+01
      5   0.167582D+02  0.207688D+02  0.167025D+02 -0.808971D+01 -0.441798D+01
      6   0.152904D+02  0.177287D+02  0.119002D+02 -0.138225D+02 -0.129328D+01
               241           242           243           244           245 
      1  -0.677912D+01  0.208104D+02  0.335844D+02 -0.558518D+01  0.191338D+02
      2   0.184095D+02 -0.267941D+02 -0.108445D+02 -0.576359D+01 -0.177619D+02
      3  -0.116304D+02  0.598374D+01 -0.227399D+02  0.113488D+02 -0.137196D+01
      4   0.863330D+01 -0.253712D+01  0.121629D+02  0.276298D+02 -0.488383D+02
      5   0.205117D+02 -0.364353D+01  0.186601D+02 -0.411089D+01  0.311872D+01
      6   0.185661D+02 -0.476343D+01  0.236385D+02  0.710378D+01 -0.201932D+01
               246           247           248           249           250 
      1  -0.488207D+01 -0.895016D+02 -0.979082D+02  0.980690D+01  0.183123D+02
      2   0.237077D+01  0.767728D+02  0.711469D+02 -0.780531D+01 -0.133043D+02
      3   0.251130D+01  0.127288D+02  0.267613D+02 -0.200159D+01 -0.500797D+01
      4   0.352815D+01 -0.945207D+02 -0.154144D+03  0.177734D+02  0.127694D+02
      5  -0.283832D+02  0.897009D+01  0.141941D+02 -0.234702D+02 -0.905271D+01
      6  -0.811625D+01 -0.860650D+01 -0.518366D+01 -0.777982D+00  0.502707D+01
               251           252           253           254           255 
      1   0.141528D+02 -0.259915D+02 -0.212261D+02 -0.194134D+02 -0.507296D+00
      2  -0.739851D+01  0.126405D+02  0.198739D+02  0.112481D+02  0.293763D+01
      3  -0.675428D+01  0.133509D+02  0.135223D+01  0.816532D+01 -0.243034D+01
      4   0.197322D+02 -0.273176D+02 -0.274586D+02 -0.229512D+02  0.326309D+01
      5  -0.261516D+02  0.106636D+02  0.756363D+00  0.118195D+01 -0.130144D+02
      6   0.130126D+02 -0.224468D+01  0.337376D+00  0.307790D+01  0.860103D+01
               256           257           258           259           260 
      1   0.280251D+02  0.466768D+02 -0.919087D+01 -0.938389D+01 -0.187842D+01
      2  -0.399328D+02 -0.381786D+02  0.517399D+01  0.112794D+02 -0.259103D+01
      3   0.119077D+02 -0.849820D+01  0.401688D+01 -0.189553D+01  0.446946D+01
      4   0.522062D+02  0.127374D+02 -0.136468D+00 -0.550786D+01  0.965793D+01
      5  -0.959841D+01 -0.640100D+00 -0.489947D+01 -0.100205D+02  0.818929D+01
      6   0.964128D+01 -0.501742D+00 -0.764336D+01  0.751402D+01 -0.125507D+02
               261           262           263           264           265 
      1  -0.432296D+01  0.218514D+02  0.113642D+02 -0.107578D+02 -0.392804D+01
      2  -0.880980D+00 -0.113653D+02 -0.184976D+02  0.552168D+01 -0.388128D+00
      3   0.520394D+01 -0.104861D+02  0.713343D+01  0.523613D+01  0.431617D+01
      4   0.124475D+02 -0.982884D+01  0.377817D+02  0.817606D+01  0.738712D+01
      5   0.159315D+01 -0.127558D+02  0.279963D+01  0.109803D+02  0.408632D+01
      6  -0.237801D+00  0.111409D+02 -0.249307D+01 -0.788936D+01 -0.424161D+01
               266           267           268           269           270 
      1  -0.173446D+02 -0.312526D+01 -0.107034D+02 -0.165555D+02  0.171019D+00
      2   0.285210D+02  0.789377D+01  0.791246D+01  0.205990D+02  0.981569D+00
      3  -0.111764D+02 -0.476851D+01  0.279095D+01 -0.404350D+01 -0.115259D+01
      4  -0.351855D+02 -0.989412D+01  0.713764D+01 -0.304140D+02 -0.169014D+02
      5  -0.885632D+01 -0.466608D+01  0.140448D+02 -0.124895D+02 -0.280707D+02
      6   0.114918D+02  0.104952D+02 -0.115093D+02  0.174865D+02  0.271442D+02
               271           272           273           274           275 
      1  -0.363994D+02 -0.644673D+02  0.129358D+02  0.513850D+01 -0.941281D+01
      2   0.307145D+02  0.571817D+02 -0.781519D+01 -0.160364D+01  0.116035D+02
      3   0.568497D+01  0.728559D+01 -0.512057D+01 -0.353487D+01 -0.219067D+01
      4  -0.427654D+02 -0.810432D+00  0.309851D+01  0.189799D+02  0.212467D+01
      5   0.686741D+01  0.194357D+01  0.250562D+02 -0.200069D+01  0.292218D+00
      6  -0.839399D+01 -0.216001D+01  0.117008D+02  0.517451D+01 -0.225394D+01
               276           277           278           279           280 
      1   0.840655D+00 -0.334459D+00 -0.918425D+00 -0.856642D+01  0.318365D+02
      2  -0.202158D+00  0.209015D+01  0.277403D+01  0.449911D+01 -0.230204D+02
      3  -0.638497D+00 -0.175569D+01 -0.185560D+01  0.406731D+01 -0.881610D+01
      4  -0.660736D+00 -0.316998D+01 -0.296889D+01 -0.230480D+01 -0.124514D+02
      5  -0.203073D+01  0.915858D+00  0.196111D+01 -0.994261D-01  0.189401D+02
      6   0.372153D+01  0.511444D+01  0.886467D+01 -0.193209D+01 -0.104126D+02
               281           282           283           284           285 
      1   0.146853D+02  0.810924D+01  0.270611D+01 -0.433101D+01  0.532118D+01
      2  -0.189137D+02 -0.517431D+01 -0.549944D+01  0.864489D+01 -0.744975D+01
      3   0.422844D+01 -0.293492D+01  0.279333D+01 -0.431389D+01  0.212857D+01
      4   0.360400D+02 -0.160295D+02  0.946625D+01 -0.180596D+02  0.107584D+02
      5  -0.946153D+01  0.183207D+02 -0.137551D+01  0.108991D+02 -0.153635D+01
      6   0.756389D+01 -0.102642D+02  0.327691D+01 -0.941265D+01  0.757640D+01
               286           287           288           289           290 
      1   0.119488D+02  0.964699D+01  0.142832D+01 -0.222157D+02 -0.220215D+02
      2  -0.133849D+02 -0.894321D+01 -0.932018D+01  0.229969D+02  0.230401D+02
      3   0.143607D+01 -0.703779D+00  0.789186D+01 -0.781151D+00 -0.101858D+01
      4  -0.872003D+01  0.190752D+02 -0.167535D+02  0.739789D+01  0.850032D+01
      5   0.195954D+02 -0.109768D+02  0.312862D+02 -0.694833D+00 -0.971875D+00
      6  -0.113042D+02  0.133321D+02 -0.242596D+02 -0.554259D+01 -0.444626D+01
               291           292           293           294           295 
      1   0.539428D+01 -0.162693D+02 -0.489176D+02  0.828883D+01  0.397644D+01
      2  -0.347462D+01  0.218046D+02  0.639769D+02 -0.796248D+01 -0.252249D+01
      3  -0.191966D+01 -0.553523D+01 -0.150593D+02 -0.326351D+00 -0.145396D+01
      4  -0.206396D+01 -0.325361D+00 -0.172164D+02  0.325342D+01 -0.955365D+00
      5   0.153366D+00  0.523422D-02  0.295062D+01 -0.161793D+01 -0.165911D+01
      6   0.680641D+01 -0.377615D+01 -0.117634D+02  0.126345D+02  0.732035D+01
               296           297           298           299           300 
      1   0.815139D+01 -0.153719D+02 -0.222618D+02 -0.219633D+02 -0.537036D+01
      2  -0.591208D+01  0.124620D+02  0.230130D+02  0.229660D+02  0.346338D+01
      3  -0.223931D+01  0.290994D+01 -0.751145D+00 -0.100270D+01  0.190698D+01
      4   0.105324D+01 -0.209953D+01  0.742930D+01  0.845027D+01  0.201630D+01
      5  -0.610397D+01  0.301986D+01  0.719632D+00  0.907383D+00  0.231193D+00
      6   0.168499D+02 -0.963611D+01  0.556538D+01  0.445835D+01  0.682839D+01
               301           302           303           304           305 
      1  -0.161049D+02 -0.491518D+02 -0.834955D+01 -0.400863D+01 -0.819995D+01
      2   0.217365D+02  0.641561D+02  0.805003D+01  0.255554D+01  0.597524D+01
      3  -0.563164D+01 -0.150043D+02  0.299528D+00  0.145308D+01  0.222471D+01
      4  -0.478072D+00 -0.169676D+02 -0.322274D+01  0.944260D+00 -0.104150D+01
      5  -0.807716D-01 -0.293118D+01 -0.151247D+01 -0.167944D+01 -0.607255D+01
      6   0.379695D+01  0.118004D+02  0.126657D+02  0.734721D+01  0.168417D+02
               306           307           308           309           310 
      1  -0.153845D+02  0.316476D+02  0.148548D+02 -0.814091D+01  0.285089D+01
      2   0.124578D+02 -0.229655D+02 -0.189631D+02  0.519575D+01 -0.556468D+01
      3   0.292661D+01 -0.868209D+01  0.410827D+01  0.294517D+01  0.271379D+01
      4  -0.206836D+01 -0.121927D+02  0.357228D+02  0.161266D+02  0.936968D+01
      5  -0.301627D+01 -0.189764D+02  0.955089D+01  0.182895D+02  0.146281D+01
      6   0.965606D+01  0.104433D+02 -0.753926D+01 -0.102419D+02 -0.332390D+01
               311           312           313           314           315 
      1  -0.439776D+01 -0.524770D+01 -0.117844D+02 -0.968050D+01  0.142692D+01
      2   0.868614D+01  0.739517D+01  0.132976D+02  0.892585D+01 -0.933720D+01
      3  -0.428837D+01 -0.214747D+01 -0.151323D+01  0.754651D+00  0.791029D+01
      4  -0.180199D+02 -0.108923D+02  0.859897D+01 -0.189077D+02 -0.167771D+02
      5  -0.110298D+02 -0.159710D+01  0.196198D+02 -0.110135D+02 -0.312501D+02
      6   0.940302D+01  0.760580D+01 -0.113041D+02  0.133224D+02  0.242462D+02
               316           317           318           319           320 
      1   0.396614D+02  0.254985D+02  0.943834D+01  0.240878D+02  0.180668D+02
      2  -0.123643D+02 -0.313646D+00 -0.397185D+01  0.845662D+00  0.138739D+02
      3  -0.272970D+02 -0.251848D+02 -0.546649D+01 -0.249334D+02 -0.319406D+02
      4   0.494976D+02  0.532628D+02  0.140565D+02  0.552856D+02  0.726804D+02
      5   0.216532D+02  0.163751D+02  0.158366D+02  0.195502D+02  0.258317D+02
      6   0.141585D+02  0.142610D+02  0.772943D+01  0.163128D+02  0.238842D+02
               321           322           323           324           325 
      1   0.290659D+01  0.665293D+00 -0.195491D+01  0.379569D+00 -0.270293D+02
      2   0.132326D+01 -0.741877D+00 -0.960838D-01  0.146890D+01  0.118653D+02
      3  -0.422985D+01  0.765842D-01  0.205099D+01 -0.184847D+01  0.151640D+02
      4   0.219118D+02  0.234152D+01  0.967413D+01  0.130526D+02  0.202914D+01
      5   0.177124D+02  0.935358D+01  0.127565D+02  0.760373D+01  0.671686D+01
      6   0.141717D+02  0.420155D+01  0.960094D+01  0.657288D+01  0.114656D+02
               326           327           328           329           330 
      1   0.191960D+02  0.317468D+02  0.744385D+01 -0.101268D+02 -0.119065D+02
      2  -0.949466D+01 -0.804424D+01 -0.358175D+01  0.690341D+01  0.775133D+01
      3  -0.970132D+01 -0.237025D+02 -0.386210D+01  0.322343D+01  0.415514D+01
      4  -0.154910D+00 -0.176552D+01  0.393154D+01  0.923373D+01  0.886618D+01
      5  -0.551590D+01 -0.184157D+02 -0.107785D+01  0.964869D+01  0.687721D+01
      6  -0.939262D+01 -0.182820D+02 -0.266896D+01  0.108353D+02  0.117649D+02
               331           332           333           334           335 
      1   0.180810D+02 -0.166365D+02 -0.383828D+02  0.161644D+03  0.956704D+00
      2  -0.409260D+01  0.692177D+01  0.444760D+01 -0.953219D+02 -0.412425D+00
      3  -0.139884D+02  0.971471D+01  0.339352D+02 -0.663223D+02 -0.544279D+00
      4   0.774889D+00  0.742535D+01  0.576486D+01  0.603130D+01  0.140965D+02
      5  -0.634110D+01  0.109240D+02  0.300220D+02  0.673453D+02  0.106505D+01
      6  -0.930507D+01  0.147819D+02  0.248448D+02  0.204722D+01  0.338416D+01
               336           337           338           339           340 
      1   0.396390D+02  0.906184D+00  0.107560D+02 -0.114556D+00  0.221241D+02
      2  -0.282443D+02 -0.206756D-02 -0.493608D+01  0.804779D+00 -0.172563D+02
      3  -0.113948D+02 -0.904116D+00 -0.581990D+01 -0.690223D+00 -0.486782D+01
      4   0.988322D+00  0.167305D+02  0.432032D-01  0.598819D+01  0.205013D+00
      5   0.358605D+02 -0.321293D-01  0.700612D+01 -0.122093D+01  0.278063D+02
      6   0.211668D+01  0.389520D+01  0.122771D+01  0.338076D+01  0.228355D+01
               341           342           343           344           345 
      1  -0.961068D+00  0.193828D+02  0.533446D+01 -0.613709D+01  0.175932D+02
      2   0.239611D+01 -0.157198D+02 -0.672236D+01  0.441997D+00 -0.143191D+01
      3  -0.143505D+01 -0.366295D+01  0.138791D+01  0.569509D+01 -0.161612D+02
      4   0.691095D+00 -0.984961D+00 -0.381491D+01 -0.619903D+01  0.573266D+01
      5  -0.118846D+01  0.173747D+02  0.935483D+01  0.360613D+01 -0.119577D+02
      6   0.187142D+01  0.173612D+00 -0.133875D+01 -0.274020D+01  0.112531D+01
               346           347           348           349           350 
      1  -0.681468D+01 -0.108993D+02  0.787314D+01  0.104948D+02  0.715598D+01
      2   0.500420D+01  0.121838D+01  0.741935D+01 -0.604836D+01  0.599962D+01
      3   0.181048D+01  0.968092D+01 -0.152925D+02 -0.444648D+01 -0.131556D+02
      4  -0.513981D+00 -0.167062D+02  0.187639D+02 -0.232434D+01  0.156399D+02
      5  -0.503544D+01  0.162551D+02 -0.290325D+02  0.669700D+01 -0.219132D+02
      6  -0.203697D+00 -0.725066D+01  0.877737D+01 -0.870587D+00  0.744500D+01
               351           352           353           354           355 
      1  -0.225145D+02  0.430469D+02 -0.312688D+02 -0.446683D+01 -0.339121D+02
      2  -0.170840D+02 -0.189379D+02  0.151200D+02  0.215851D+01  0.134589D+02
      3   0.395985D+02 -0.241090D+02  0.161488D+02  0.230832D+01  0.204531D+02
      4  -0.243124D+02 -0.376176D+02  0.261195D+02  0.438721D+01  0.359349D+02
      5   0.564524D+02 -0.523310D+01  0.407403D+01  0.115314D+02  0.443767D+01
      6  -0.818919D+01  0.146330D+01 -0.109789D+01 -0.976779D+00 -0.179001D+01
               356           357           358           359           360 
      1   0.172724D+02  0.345852D+01 -0.628215D+01  0.534676D+01  0.109352D+02
      2   0.244141D+01 -0.109642D+01  0.321438D+01 -0.278207D+01 -0.700465D+01
      3  -0.197138D+02 -0.236209D+01  0.306776D+01 -0.256468D+01 -0.393050D+01
      4  -0.604699D+02 -0.628398D+01  0.686999D+01 -0.566915D+01 -0.102553D+02
      5  -0.545581D+01 -0.655052D+01  0.174595D+02 -0.955753D+01 -0.564663D+01
      6   0.101986D+01  0.369938D+01 -0.195822D+01  0.508126D+01  0.104315D+01
               361           362           363           364           365 
      1  -0.509671D+02 -0.196948D+02 -0.140896D+02 -0.192681D+02 -0.127043D+02
      2   0.228166D+02  0.110948D+02 -0.417021D+01  0.981393D+01  0.464948D+01
      3   0.281505D+02  0.859993D+01  0.182598D+02  0.945417D+01  0.805479D+01
      4  -0.215683D+02 -0.912882D+01  0.437355D+00 -0.716265D+01 -0.625132D+01
      5   0.213341D+02  0.109821D+02 -0.982362D+01  0.968503D+01 -0.140713D+01
      6   0.748810D+01  0.548707D+01  0.396314D+00  0.397648D+01  0.363005D+01
               366           367           368           369           370 
      1  -0.214455D+01 -0.475864D+01 -0.356454D+00 -0.117894D+02 -0.167375D+01
      2  -0.342972D+01 -0.350482D+01 -0.254685D+01  0.440383D+01 -0.221885D+01
      3   0.557427D+01  0.826346D+01  0.290330D+01  0.738562D+01  0.389260D+01
      4  -0.623156D+01  0.157370D+01 -0.305690D+01 -0.408295D+01  0.337533D+01
      5  -0.480168D+01 -0.503590D+01 -0.362612D+01  0.494272D+01 -0.944728D+01
      6   0.577166D+01  0.536179D+00  0.342589D+01  0.104297D+01 -0.389399D+01
               371           372           373           374           375 
      1   0.456243D+01 -0.968324D+01  0.472527D+01 -0.131476D+02  0.186932D+02
      2  -0.155415D+01  0.654969D+01 -0.402588D+01  0.341666D+01  0.598814D+01
      3  -0.300827D+01  0.313355D+01 -0.699389D+00  0.973092D+01 -0.246814D+02
      4   0.459023D+01 -0.134357D+01  0.989540D+01  0.305858D+02 -0.255725D+02
      5  -0.154478D+01  0.117505D+02 -0.905253D+01 -0.272049D+02  0.381715D+02
      6  -0.147175D+01  0.164517D+00 -0.618516D+01 -0.270224D+02  0.278291D+02
               376           377           378           379           380 
      1  -0.605983D+01  0.129838D+02 -0.182375D+02  0.326533D+02 -0.171446D+02
      2   0.755634D+01  0.320080D+01 -0.142113D+02 -0.271941D+02  0.141294D+02
      3  -0.149651D+01 -0.161846D+02  0.324489D+02 -0.545920D+01  0.301521D+01
      4  -0.418390D+01 -0.185702D+02  0.224656D+02 -0.210163D+02  0.179426D+02
      5   0.149513D+02  0.228623D+02 -0.456510D+02 -0.384882D+02  0.213249D+02
      6   0.346366D+01  0.205800D+02 -0.260222D+02  0.100239D+02 -0.893136D+01
               381           382           383           384           385 
      1  -0.177129D+02 -0.243285D+02  0.110024D+02  0.105331D+02 -0.983506D+01
      2   0.230170D+02  0.200614D+02 -0.135427D+02 -0.189674D+02  0.157167D+02
      3  -0.530411D+01  0.426707D+01  0.254036D+01  0.843428D+01 -0.588165D+01
      4   0.149494D+02  0.227672D+02 -0.287166D+02 -0.255309D+02  0.970657D+01
      5   0.402176D+02  0.306260D+02 -0.300656D+02 -0.338705D+02  0.287337D+02
      6  -0.681753D+01 -0.116710D+02  0.146241D+02  0.161614D+02 -0.544043D+01
               386           387           388           389           390 
      1   0.454693D+01  0.908851D+01  0.436802D+02  0.962686D+01  0.235343D+02
      2  -0.917574D+01 -0.218184D+02 -0.183216D+02 -0.821980D+00 -0.805793D+01
      3   0.462881D+01  0.127299D+02 -0.253585D+02 -0.880488D+01 -0.154764D+02
      4  -0.143472D+02 -0.137204D+02  0.161447D+02  0.146037D+02  0.142406D+02
      5  -0.162501D+02 -0.381087D+02  0.197002D+02  0.102967D+02  0.204529D+02
      6   0.101378D+02  0.806886D+01  0.570761D+01  0.227882D+01  0.426703D+01
               391           392           393           394           395 
      1   0.105491D+02  0.139563D+02  0.118127D+02  0.480415D+02  0.175208D+02
      2   0.533189D+00 -0.114080D+01 -0.208049D+01 -0.184239D+02 -0.352076D+01
      3  -0.110823D+02 -0.128155D+02 -0.973218D+01 -0.296176D+02 -0.140001D+02
      4   0.214836D+02  0.207373D+02  0.100061D+02  0.247512D+02  0.168574D+02
      5   0.111221D+02  0.676448D+01  0.153504D+02  0.224122D+02  0.150500D+02
      6   0.128018D+01  0.148538D+01  0.648127D+01  0.505326D+01  0.544203D+01
               396           397           398           399           400 
      1   0.237674D+02  0.110887D+03 -0.325484D+02 -0.307603D+02 -0.838281D+02
      2  -0.620033D+01 -0.666526D+02  0.203861D+02  0.217088D+02  0.513643D+02
      3  -0.175670D+02 -0.442348D+02  0.121623D+02  0.905151D+01  0.324638D+02
      4   0.198481D+02 -0.230975D+02  0.179041D+02  0.710791D+01  0.280472D+02
      5   0.476596D+02 -0.413883D+02  0.120831D+02  0.266321D+02  0.332729D+02
      6   0.112114D+02  0.289666D+01 -0.232651D+01  0.731387D+00 -0.454935D+01
               401           402           403           404           405 
      1   0.301786D+02  0.251686D+02 -0.386805D+02  0.108600D+02  0.276014D+02
      2  -0.198830D+02 -0.191346D+02  0.277797D+02 -0.941816D+01 -0.203002D+02
      3  -0.102956D+02 -0.603403D+01  0.109008D+02 -0.144180D+01 -0.730119D+01
      4  -0.251395D+02 -0.146786D+02  0.687404D+01 -0.125556D+02 -0.281782D+01
      5  -0.181146D+02 -0.198531D+02  0.374544D+02 -0.605143D+01 -0.243905D+02
      6   0.356926D+01  0.372456D+01  0.159501D+01  0.437184D+01 -0.318756D+00
               406           407           408           409           410 
      1   0.111917D+02  0.691666D+01 -0.126635D+02  0.179053D+02  0.763198D+01
      2  -0.535226D+01 -0.145027D+01  0.672657D+01 -0.344912D+01  0.987661D+01
      3  -0.583941D+01 -0.546639D+01  0.593690D+01 -0.144562D+02 -0.175086D+02
      4   0.103971D+02  0.119515D+02 -0.625684D+01  0.377935D+02  0.630159D+02
      5  -0.139252D+02 -0.528891D+01  0.103946D+02 -0.194228D+02 -0.377255D+02
      6  -0.559695D+01 -0.277940D+01  0.235114D+01 -0.119831D+02 -0.250214D+02
               411           412           413           414           415 
      1   0.695425D+00 -0.258396D+02 -0.876454D-01  0.731658D+01 -0.305647D+02
      2  -0.374343D+01  0.144174D+02 -0.343782D+01 -0.621639D+01  0.316438D+02
      3   0.304800D+01  0.114223D+02  0.352546D+01 -0.110019D+01 -0.107914D+01
      4  -0.369028D+02 -0.220729D+02 -0.379990D+02  0.347493D+02 -0.364931D+01
      5   0.338406D+02  0.304667D+02  0.342310D+02 -0.410994D+02  0.816056D+01
      6   0.196976D+02  0.112384D+02  0.201806D+02 -0.202459D+02  0.730160D+01
               416           417           418           419           420 
      1   0.330585D+02  0.102811D+02  0.205515D+02 -0.316797D+02 -0.113885D+02
      2  -0.354518D+02 -0.120938D+02 -0.213208D+02  0.428705D+02  0.137529D+02
      3   0.239328D+01  0.181263D+01  0.769279D+00 -0.111907D+02 -0.236436D+01
      4   0.755798D+00  0.169619D+01  0.445236D+01  0.104738D+02  0.336370D+01
      5  -0.694788D+01 -0.845643D+01 -0.561241D+01  0.951586D+01  0.405268D+01
      6  -0.552284D+01 -0.113578D+02 -0.490756D+01  0.828798D+01  0.722927D+01
               421           422           423           424           425 
      1   0.163031D+02 -0.222184D+02 -0.184185D+02  0.291888D+02  0.116533D+02
      2  -0.159949D+02  0.286431D+02  0.151197D+02  0.531280D+01  0.217487D+02
      3  -0.308176D+00 -0.642472D+01  0.329878D+01 -0.345016D+02 -0.334020D+02
      4   0.345947D+01  0.100014D+02 -0.626924D+00  0.584130D+02  0.620396D+02
      5  -0.842736D+01  0.802943D+01  0.865272D+01 -0.985676D+01 -0.107509D+02
      6  -0.106571D+02  0.111080D+02  0.110575D+02 -0.530841D+01 -0.953075D+01
               426           427           428           429           430 
      1   0.141945D+00  0.114964D+02 -0.186927D+00 -0.172937D+01  0.182244D+01
      2  -0.339263D+01  0.126787D+02  0.354137D+02 -0.639868D+00 -0.248458D+01
      3   0.325068D+01 -0.241751D+02 -0.352267D+02  0.236924D+01  0.662144D+00
      4  -0.805246D+01  0.450011D+02  0.638603D+02 -0.664613D+01 -0.304320D+01
      5   0.804206D+01 -0.823244D+01 -0.748472D+01  0.734189D+01  0.667140D+01
      6   0.677726D+01 -0.663664D+01 -0.877501D+01  0.750975D+01  0.529130D+01
               431           432           433           434           435 
      1  -0.239535D+01 -0.106873D+01 -0.139543D+02  0.123396D+02 -0.152426D+02
      2   0.323191D+01  0.324307D+01  0.764136D+01 -0.943475D+01  0.294446D+01
      3  -0.836553D+00 -0.217435D+01  0.631294D+01 -0.290489D+01  0.122982D+02
      4  -0.178093D+01  0.101530D+02 -0.125657D+01  0.112395D+01 -0.488869D+01
      5   0.957671D+01 -0.506031D+01 -0.383070D+01  0.940709D+00 -0.800972D+01
      6   0.978473D+01 -0.513384D+01 -0.842558D+01  0.464312D+01 -0.145650D+02
               436           437           438           439           440 
      1   0.250781D+01 -0.592279D+01  0.375217D+01 -0.137720D+02  0.168068D+02
      2  -0.257149D+01  0.272506D+01 -0.599257D+01  0.332619D+01 -0.142976D+02
      3   0.636721D-01  0.319773D+01  0.224041D+01  0.104458D+02 -0.250914D+01
      4   0.524450D+00 -0.220672D+01 -0.498897D+01 -0.538120D+01 -0.991288D+01
      5  -0.112857D+01 -0.497011D+01  0.123400D+01 -0.435396D+01  0.105650D+02
      6   0.640875D+00 -0.545773D+01  0.680879D+01 -0.110885D+02  0.184435D+02
               441           442           443           444           445 
      1  -0.357413D+02 -0.172337D+01  0.460732D+01  0.961774D+01  0.459743D+01
      2   0.378312D+01 -0.217137D+01 -0.156022D+01 -0.648643D+01 -0.393385D+01
      3   0.319582D+02  0.389473D+01 -0.304709D+01 -0.313131D+01 -0.663585D+00
      4  -0.219857D+00  0.336735D+01  0.448825D+01  0.126070D+01  0.985264D+01
      5  -0.350918D+02  0.935857D+01  0.148292D+01  0.116399D+02  0.897423D+01
      6  -0.411398D+02  0.386596D+01  0.140927D+01  0.867691D-01  0.613492D+01
               446           447           448           449           450 
      1  -0.131944D+02 -0.187562D+02  0.579156D+01 -0.127657D+02 -0.182880D+02
      2   0.347804D+01 -0.598880D+01 -0.738054D+01 -0.324793D+01 -0.141823D+02
      3   0.971636D+01  0.247450D+02  0.158898D+01  0.160136D+02  0.324703D+02
      4   0.305753D+02  0.254479D+02  0.438430D+01  0.182814D+02  0.223853D+02
      5   0.270566D+02  0.380927D+02  0.148169D+02  0.227511D+02  0.454570D+02
      6   0.270093D+02  0.278330D+02  0.347211D+01  0.205446D+02  0.260383D+02
               451           452           453           454           455 
      1  -0.509766D+02 -0.195917D+02  0.139795D+02 -0.193196D+02 -0.126460D+02
      2   0.228264D+02  0.110528D+02  0.420251D+01  0.980940D+01  0.463460D+01
      3   0.281503D+02  0.853892D+01 -0.181820D+02  0.951020D+01  0.801139D+01
      4  -0.215039D+02 -0.921575D+01 -0.438858D+00 -0.715441D+01 -0.628773D+01
      5  -0.214098D+02 -0.109883D+02 -0.984336D+01 -0.974164D+01  0.140601D+01
      6  -0.747011D+01 -0.547471D+01  0.382815D+00 -0.399902D+01 -0.359314D+01
               456           457           458           459           460 
      1   0.207722D+01  0.473608D+01  0.177721D+00 -0.116946D+02  0.328403D+02
      2   0.349394D+01  0.353345D+01  0.264547D+01  0.436505D+01 -0.272734D+02
      3  -0.557117D+01 -0.826954D+01 -0.282319D+01  0.732957D+01 -0.556688D+01
      4   0.622112D+01 -0.168683D+01  0.310824D+01 -0.416814D+01 -0.211937D+02
      5  -0.480308D+01 -0.501963D+01 -0.374431D+01 -0.502399D+01  0.383211D+02
      6   0.571495D+01  0.474751D+00  0.341673D+01 -0.104447D+01 -0.100112D+02
               461           462           463           464           465 
      1  -0.172732D+02  0.175892D+02 -0.241390D+02  0.108486D+02 -0.104636D+02
      2   0.142019D+02 -0.229959D+02  0.199803D+02 -0.134782D+02  0.189957D+02
      3   0.307134D+01  0.540670D+01  0.415863D+01  0.262963D+01 -0.853216D+01
      4   0.180586D+02 -0.148421D+02  0.226522D+02 -0.286086D+02  0.256069D+02
      5  -0.212142D+02  0.402805D+02 -0.305762D+02  0.301129D+02 -0.339565D+02
      6   0.889069D+01 -0.687380D+01  0.116790D+02 -0.145953D+02  0.161536D+02
               466           467           468           469           470 
      1   0.962214D+01 -0.439099D+01  0.901999D+01  0.108515D+02  0.711551D+01
      2  -0.156554D+02  0.917732D+01 -0.218939D+02 -0.518062D+01 -0.154843D+01
      3   0.603330D+01 -0.478633D+01  0.128739D+02 -0.567091D+01 -0.556708D+01
      4  -0.962476D+01  0.142764D+02 -0.137692D+02  0.105735D+02  0.116790D+02
      5   0.287962D+02 -0.163112D+02  0.383076D+02  0.139858D+02  0.517371D+01
      6  -0.546083D+01  0.101838D+02 -0.817789D+01  0.551966D+01  0.276406D+01
               471           472           473           474           475 
      1   0.126682D+02  0.178722D+02  0.762284D+01 -0.703339D+00  0.258317D+02
      2  -0.671325D+01 -0.345078D+01  0.987740D+01  0.375639D+01 -0.144080D+02
      3  -0.595498D+01 -0.144214D+02 -0.175002D+02 -0.305305D+01 -0.114237D+02
      4   0.616847D+01  0.377952D+02  0.628828D+02  0.368576D+02  0.219579D+02
      5   0.103492D+02  0.195320D+02  0.376887D+02  0.338109D+02  0.305100D+02
      6   0.228918D+01  0.119365D+02  0.250531D+02  0.197160D+02  0.112255D+02
               476           477           478           479           480 
      1   0.809467D-02  0.733125D+01  0.110267D+03 -0.321733D+02  0.309516D+02
      2   0.343515D+01 -0.622552D+01 -0.663545D+02  0.202365D+02 -0.218807D+02
      3  -0.344324D+01 -0.110573D+01 -0.439125D+02  0.119368D+02 -0.907082D+01
      4   0.379821D+02  0.347622D+02 -0.227962D+02  0.176810D+02 -0.716806D+01
      5   0.342165D+02  0.411269D+02  0.415639D+02 -0.121750D+02  0.266713D+02
      6   0.201759D+02  0.202763D+02 -0.285697D+01  0.231488D+01  0.698219D+00
               481           482           483           484           485 
      1  -0.839551D+02  0.303157D+02 -0.252156D+02  0.389601D+02 -0.110347D+02
      2   0.514123D+02 -0.199442D+02  0.192467D+02 -0.279331D+02  0.948342D+01
      3   0.325428D+02 -0.103715D+02  0.596881D+01 -0.110270D+02  0.155127D+01
      4   0.282461D+02 -0.253248D+02  0.146965D+02 -0.707084D+01  0.127281D+02
      5  -0.333496D+02  0.181429D+02 -0.199879D+02  0.375909D+02 -0.615441D+01
      6   0.455916D+01 -0.357592D+01  0.375604D+01  0.162693D+01  0.438126D+01
               486           487           488           489           490 
      1   0.276791D+02  0.439753D+02  0.946892D+01 -0.237927D+02  0.105817D+02
      2  -0.204206D+02 -0.182984D+02 -0.745350D+00  0.816809D+01  0.542223D+00
      3  -0.725853D+01 -0.256769D+02 -0.872357D+01  0.156246D+02 -0.111240D+02
      4  -0.290416D+01  0.160522D+02  0.148855D+02 -0.143339D+02  0.214814D+02
      5   0.245256D+02 -0.199450D+02 -0.103613D+02  0.204525D+02 -0.111346D+02
      6   0.291771D+00 -0.576893D+01 -0.225904D+01  0.423776D+01 -0.128961D+01
               491           492           493           494           495 
      1   0.139535D+02 -0.119104D+02 -0.481207D+02 -0.175856D+02  0.237612D+02
      2  -0.115214D+01  0.210871D+01  0.184655D+02  0.356245D+01 -0.619557D+01
      3  -0.128014D+02  0.980164D+01  0.296552D+02  0.140232D+02 -0.175656D+02
      4   0.206787D+02 -0.100149D+02 -0.247957D+02 -0.167308D+02  0.198367D+02
      5  -0.672286D+01  0.152516D+02  0.223322D+02  0.150394D+02 -0.475594D+02
      6  -0.146090D+01  0.646846D+01  0.503440D+01  0.543016D+01 -0.111702D+02
               496           497           498           499           500 
      1   0.161610D+03  0.942789D+00 -0.395697D+02  0.943142D+00  0.107493D+02
      2  -0.953247D+02 -0.388289D+00  0.281906D+02 -0.299478D-01 -0.498158D+01
      3  -0.662854D+02 -0.554500D+00  0.113791D+02 -0.913194D+00 -0.576774D+01
      4   0.600628D+01  0.139000D+02 -0.874481D+00  0.166366D+02  0.124113D+00
      5  -0.672560D+02 -0.931190D+00  0.357898D+02  0.700078D-01 -0.702017D+01
      6  -0.200440D+01 -0.336461D+01  0.207984D+01 -0.390203D+01 -0.122474D+01
               501           502           503           504           505 
      1   0.152116D+00 -0.214790D+02  0.580312D+00  0.192811D+02  0.517900D+01
      2  -0.837156D+00  0.169665D+02 -0.225111D+01 -0.156623D+02 -0.664709D+01
      3   0.685040D+00  0.451248D+01  0.167080D+01 -0.361879D+01  0.146809D+01
      4  -0.599133D+01 -0.663656D+00 -0.247496D+00 -0.993738D+00 -0.368809D+01
      5  -0.121486D+01  0.276032D+02 -0.122280D+01 -0.171476D+02 -0.934797D+01
      6   0.337280D+01  0.220814D+01  0.182692D+01 -0.168905D+00  0.135139D+01
               506           507           508           509           510 
      1  -0.604163D+01 -0.175197D+02 -0.714735D+01 -0.105853D+02 -0.782461D+01
      2   0.455489D+00  0.146973D+01  0.513290D+01  0.110518D+01 -0.739653D+01
      3   0.558614D+01  0.160499D+02  0.201445D+01  0.948016D+01  0.152211D+02
      4  -0.628081D+01 -0.570919D+01 -0.144787D+00 -0.169749D+02 -0.187604D+02
      5  -0.357466D+01 -0.119138D+02  0.506210D+01 -0.162716D+02 -0.290024D+02
      6   0.273407D+01  0.110779D+01  0.204973D+00  0.725298D+01  0.879796D+01
               511           512           513           514           515 
      1  -0.101034D+02 -0.723196D+01 -0.224311D+02 -0.270886D+02  0.193131D+02
      2   0.589853D+01 -0.599896D+01 -0.171646D+02  0.118956D+02 -0.953948D+01
      3   0.420487D+01  0.132309D+02  0.395957D+02  0.151930D+02 -0.977361D+01
      4   0.219457D+01 -0.155168D+02 -0.243518D+02  0.218567D+01 -0.234124D+00
      5   0.676702D+01 -0.219702D+02 -0.564943D+02 -0.675310D+01  0.552354D+01
      6  -0.855891D+00  0.743583D+01  0.821744D+01 -0.114663D+02  0.937791D+01
               516           517           518           519           520 
      1  -0.317843D+02  0.754068D+01 -0.102867D+02  0.119004D+02 -0.181073D+02
      2   0.804553D+01 -0.359845D+01  0.695962D+01 -0.777537D+01  0.411589D+01
      3   0.237388D+02 -0.394222D+01  0.332712D+01 -0.412500D+01  0.139914D+02
      4   0.177999D+01  0.378503D+01  0.934054D+01 -0.888802D+01 -0.743994D+00
      5  -0.184855D+02  0.105644D+01 -0.965121D+01  0.690740D+01 -0.624457D+01
      6  -0.182909D+02  0.268735D+01 -0.108757D+02  0.117609D+02 -0.930832D+01
               521           522           523           524           525 
      1   0.167281D+02 -0.383548D+02  0.399470D+02  0.254384D+02 -0.944637D+01
      2  -0.697151D+01  0.439973D+01 -0.125010D+02 -0.301445D+00  0.399293D+01
      3  -0.975663D+01  0.339551D+02 -0.274460D+02 -0.251369D+02  0.545344D+01
      4  -0.748733D+01  0.576964D+01  0.494402D+02  0.533256D+02 -0.140614D+02
      5   0.109097D+02 -0.300975D+02 -0.216305D+02 -0.163840D+02  0.158412D+02
      6   0.147944D+02 -0.248835D+02 -0.141679D+02 -0.142255D+02  0.774403D+01
               526           527           528           529           530 
      1   0.245464D+02  0.179862D+02 -0.294522D+01 -0.748354D+00  0.201979D+01
      2   0.598284D+00  0.138341D+02 -0.131067D+01  0.816585D+00  0.695235D-01
      3  -0.251446D+02 -0.318203D+02  0.425590D+01 -0.682312D-01 -0.208932D+01
      4   0.551333D+02  0.727546D+02 -0.218333D+02 -0.233454D+01 -0.965321D+01
      5  -0.195605D+02 -0.257707D+02  0.177067D+02  0.941184D+01  0.126304D+02
      6  -0.162786D+02 -0.238476D+02  0.141682D+02  0.417018D+01  0.960803D+01
               531           532           533           534           535 
      1   0.464369D+00  0.429751D+02 -0.313194D+02  0.448129D+01 -0.337660D+02
      2   0.147233D+01 -0.188618D+02  0.151754D+02 -0.213333D+01  0.133463D+02
      3  -0.193670D+01 -0.241133D+02  0.161440D+02 -0.234796D+01  0.204196D+02
      4   0.129196D+02 -0.376052D+02  0.261402D+02 -0.436551D+01  0.359632D+02
      5  -0.765001D+01  0.521237D+01 -0.405391D+01  0.115598D+02 -0.456767D+01
      6  -0.658075D+01 -0.146968D+01  0.107881D+01 -0.979643D+00  0.181570D+01
               536           537           538           539           540 
      1   0.173911D+02 -0.352432D+01  0.683576D+01 -0.582482D+01  0.107717D+02
      2   0.238441D+01  0.114935D+01 -0.342096D+01  0.295009D+01 -0.692724D+01
      3  -0.197755D+02  0.237498D+01 -0.341479D+01  0.287473D+01 -0.384451D+01
      4  -0.605553D+02  0.638202D+01 -0.743725D+01  0.623788D+01 -0.100625D+02
      5   0.556063D+01 -0.653894D+01  0.172221D+02 -0.935078D+01  0.576238D+01
      6  -0.102412D+01  0.369298D+01 -0.194346D+01  0.508256D+01 -0.106568D+01
               541           542           543           544           545 
      1   0.291826D+02  0.116960D+02 -0.131399D+00  0.116818D+02 -0.223619D+00
      2   0.534334D+01  0.217504D+02  0.342126D+01  0.126573D+02  0.353633D+02
      3  -0.345260D+02 -0.334464D+02 -0.328986D+01 -0.243391D+02 -0.351397D+02
      4   0.584783D+02  0.620672D+02  0.807482D+01  0.449639D+02  0.640613D+02
      5   0.986065D+01  0.107640D+02  0.804141D+01  0.812211D+01  0.746931D+01
      6   0.529659D+01  0.957705D+01  0.683685D+01  0.663806D+01  0.875346D+01
               546           547           548           549           550 
      1   0.168947D+01 -0.188110D+01  0.246261D+01 -0.108793D+01 -0.302382D+02
      2   0.617130D+00  0.253644D+01 -0.318965D+01  0.328130D+01  0.314570D+02
      3  -0.230660D+01 -0.655337D+00  0.727042D+00 -0.219337D+01 -0.121877D+01
      4   0.665130D+01  0.322410D+01  0.181607D+01  0.101584D+02 -0.371388D+01
      5   0.733689D+01  0.667182D+01  0.960217D+01  0.509003D+01 -0.810007D+01
      6   0.750827D+01  0.531310D+01  0.983718D+01  0.518245D+01 -0.731940D+01
               551           552           553           554           555 
      1   0.329452D+02 -0.102510D+02  0.204828D+02 -0.317860D+02  0.113645D+02
      2  -0.354293D+02  0.121035D+02 -0.212374D+02  0.430082D+02 -0.138011D+02
      3   0.248401D+01 -0.185241D+01  0.754578D+00 -0.112221D+02  0.243669D+01
      4   0.887763D+00 -0.170506D+01  0.437721D+01  0.105447D+02 -0.331537D+01
      5   0.693149D+01 -0.847143D+01  0.561312D+01 -0.946542D+01  0.406445D+01
      6   0.556767D+01 -0.113748D+02  0.498226D+01 -0.834114D+01  0.725631D+01
               556           557           558           559           560 
      1  -0.162706D+02  0.222650D+02 -0.184566D+02 -0.139912D+02  0.124243D+02
      2   0.159974D+02 -0.286947D+02  0.151880D+02  0.765654D+01 -0.950994D+01
      3   0.273258D+00  0.642965D+01  0.326857D+01  0.633470D+01 -0.291440D+01
      4  -0.346403D+01 -0.100172D+02 -0.580056D+00 -0.127879D+01  0.112416D+01
      5  -0.841875D+01  0.807525D+01 -0.873743D+01  0.388842D+01 -0.972663D+00
      6  -0.106635D+02  0.111493D+02 -0.111577D+02  0.844374D+01 -0.467090D+01
               561           562           563           564           565 
      1   0.153245D+02  0.264459D+01 -0.602869D+01 -0.385335D+01  0.138329D+02
      2  -0.302758D+01 -0.263731D+01  0.275483D+01  0.604385D+01 -0.334199D+01
      3  -0.122969D+02 -0.728000D-02  0.327387D+01 -0.219050D+01 -0.104909D+02
      4   0.488339D+01  0.483063D+00 -0.218127D+01  0.502994D+01  0.536925D+01
      5  -0.798333D+01  0.108034D+01  0.502063D+01  0.127116D+01 -0.440702D+01
      6  -0.145716D+02 -0.652608D+00  0.548586D+01  0.682277D+01 -0.111178D+02
               566           567 
      1  -0.168498D+02 -0.357475D+02
      2   0.143307D+02  0.384918D+01
      3   0.251915D+01  0.318984D+02
      4   0.999563D+01 -0.212620D+00
      5   0.105814D+02  0.350528D+02
      6   0.184310D+02  0.410833D+02

 ----------------------------------------------------------------------

 Electric dipole moment (input orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.281600D+00      0.715755D+00      0.238750D+01
   x          0.614306D-03      0.156141D-02      0.520830D-02
   y         -0.578048D-03     -0.146925D-02     -0.490090D-02
   z          0.281598D+00      0.715751D+00      0.238749D+01

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.327040D+03      0.484623D+02      0.539216D+02
   aniso      0.165034D+03      0.244555D+02      0.272104D+02
   xx         0.422617D+03      0.626253D+02      0.696801D+02
   yx         0.295664D+02      0.438129D+01      0.487484D+01
   yy         0.316040D+03      0.468322D+02      0.521079D+02
   zx         0.819783D-03      0.121479D-03      0.135164D-03
   zy        -0.159480D-02     -0.236325D-03     -0.262947D-03
   zz         0.242463D+03      0.359293D+02      0.399768D+02

 Dipole polarizability, Alpha (input orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.333648D+03      0.494415D+02      0.550111D+02
   aniso      0.142822D+03      0.211640D+02      0.235482D+02
   xx         0.403253D+03      0.597559D+02      0.664874D+02
   yx         0.352500D+02      0.522352D+01      0.581195D+01
   yy         0.342698D+03      0.507827D+02      0.565033D+02
   zx         0.636003D-02      0.942460D-03      0.104863D-02
   zy        -0.280380D-02     -0.415480D-03     -0.462284D-03
   zz         0.254991D+03      0.377858D+02      0.420424D+02

 ----------------------------------------------------------------------

 Dipole orientation:
     6          9.64193809          0.82634766         -2.67997633
     6          8.94131852         -0.45499251         -0.14137286
     6          6.09283864         -0.78194421         -0.18776795
     6          5.07478853          1.67941234          0.10391655
     6          7.28929933          3.49088855          0.33087119
     6          8.43184582          3.48369920         -2.39967293
     6          9.21528522          1.76187317          1.78326169
     8          2.80682065          2.36898848          0.11452140
    29          0.00064734          0.00075544         -0.21011595
     8          2.18531223         -2.92433103         -0.52426852
     6          4.58751585         -2.87236453         -0.50560052
     6          5.85616276         -5.47418362         -0.81949155
     9          7.07700847         -6.14521292          1.32068438
     6          6.65944760          6.06744584          1.38106303
     6         11.87949240          2.86175388          1.95332984
     6          8.36441631          1.07745601          4.46014675
     8         -2.80607520         -2.36644341          0.11635333
     6         -5.07426084         -1.67805281          0.09164855
     6         -7.28871676         -3.48989700          0.31511114
     6         -9.22395967         -1.75596462          1.74872517
     6         -8.94076551          0.45261057         -0.18402389
     6         -6.09214815          0.78139078         -0.21624144
     6         -9.62592075         -0.84040346         -2.72110672
     6         -8.41578663         -3.49569449         -2.42201596
     6         -8.38909951         -1.05880964          4.42740784
     6        -11.88832095         -2.85706783          1.90830827
     6         -6.66267123         -6.06106854          1.38044082
     6         -4.58616759          2.87110693         -0.53604024
     6         -5.85426001          5.47103349         -0.86700849
     9         -7.08554856          6.15072730          1.26439914
     8         -2.18389664          2.92401297         -0.54390400
     9         -7.58201617          5.41609351         -2.74498484
     9         -4.19473806          7.28194012         -1.40604087
     9          4.19855265         -7.28677068         -1.35868876
     9          7.59290940         -5.42799345         -2.68940148
     1         -9.80889801         -5.00456485         -2.57462559
     1         -6.95404112         -3.87868897         -3.82111978
     1        -11.66505777         -0.95967859         -2.97975923
     1         -8.86030024          0.20698807         -4.31605956
     1        -10.02497905          2.14256562          0.24453893
     1         -6.48630852         -0.27758800          4.49743944
     1         -8.44206073         -2.71425839          5.65642529
     1         -9.66974274          0.34837240          5.22517455
     1        -12.62657273         -3.50695050          0.10463919
     1        -13.18944659         -1.43249993          2.64177765
     1        -11.92609365         -4.45461638          3.21227947
     1         -5.24512988         -7.00349250          0.21907062
     1         -8.34453426         -7.25182375          1.44010907
     1         -5.89773364         -5.91784532          3.28902073
     1          8.40795932          2.73935816          5.68080194
     1          6.46199714          0.29467582          4.52199618
     1          9.64135851         -0.32432567          5.27317443
     1         11.91082614          4.46527046          3.25014951
     1         13.17503788          1.43954242          2.70105901
     1         12.62912907          3.50265102          0.15112056
     1         11.68263767          0.94332600         -2.92709938
     1          8.88502006         -0.22771994         -4.27469273
     1          6.97832207          3.86133360         -3.80875382
     1          9.82669699          4.99113155         -2.55081817
     1         10.02169567         -2.14393503          0.30076042
     1          8.34211241          7.25694305          1.44502744
     1          5.24958757          7.00594167          0.20720718
     1          5.88328682          5.93364335          3.28576877

 Electric dipole moment (dipole orientation):
 (Debye = 10**-18 statcoulomb cm , SI units = C m)
                  (au)            (Debye)         (10**-30 SI)
   Tot        0.281600D+00      0.715755D+00      0.238750D+01
   x          0.000000D+00      0.000000D+00      0.000000D+00
   y          0.000000D+00      0.000000D+00      0.000000D+00
   z          0.281600D+00      0.715755D+00      0.238750D+01

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(0;0):
               (au)            (10**-24 esu)      (10**-40 SI)
   iso        0.327040D+03      0.484623D+02      0.539216D+02
   aniso      0.165034D+03      0.244555D+02      0.272104D+02
   xx         0.422616D+03      0.626252D+02      0.696800D+02
   yx         0.295668D+02      0.438135D+01      0.487491D+01
   yy         0.316039D+03      0.468322D+02      0.521078D+02
   zx         0.333130D+00      0.493647D-01      0.549256D-01
   zy        -0.881275D-01     -0.130592D-01     -0.145303D-01
   zz         0.242464D+03      0.359295D+02      0.399769D+02

 Dipole polarizability, Alpha (dipole orientation).
 (esu units = cm**3 , SI units = C**2 m**2 J**-1)
 Alpha(-w;w) w=  532.0nm:
                  (au)         (10**-24 esu)      (10**-40 SI)
   iso        0.333648D+03      0.494415D+02      0.550111D+02
   aniso      0.142822D+03      0.211640D+02      0.235482D+02
   xx         0.403252D+03      0.597558D+02      0.664873D+02
   yx         0.352504D+02      0.522357D+01      0.581201D+01
   yy         0.342698D+03      0.507826D+02      0.565033D+02
   zx         0.257431D+00      0.381473D-01      0.424446D-01
   zy        -0.105945D+00     -0.156994D-01     -0.174679D-01
   zz         0.254992D+03      0.377859D+02      0.420425D+02

 ----------------------------------------------------------------------
 1\1\GINC-CPN-P26-21\Freq\UM11\Gen\C24H28Cu1F6O4(2)\PIERPA\29-Aug-2021\
 0\\#P M11/Gen Integral=(Acc2E=11,UltraFineGrid) SCF=(NoSymm,MaxCyc=120
 ) Polar=ROA Guess=Read Geom=Check CPHF=(MaxInv=10000,RdFreq)\\ROA calc
 ulations.\\0,2\C,5.099189,0.440206,-1.428409\C,4.731367,-0.240607,-0.0
 85627\C,3.223966,-0.413575,-0.107245\C,2.685578,0.888598,0.050956\C,3.
 857708,1.846944,0.170466\C,4.459164,1.846107,-1.275796\C,4.878568,0.93
 0415,0.934933\O,1.485437,1.253491,0.059935\Cu,0.0001,0.000628,-0.11118
 8\O,1.155806,-1.546914,-0.283129\C,2.427016,-1.519432,-0.275967\C,3.09
 7988,-2.89591,-0.446361\F,3.7465,-3.253326,0.684028\C,3.525621,3.20925
 5,0.729727\C,6.2886,1.512264,1.023048\C,4.431398,0.565329,2.351712\O,-
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    WHAT WE HAVE LEARNED
 IS LIKE A HANDFUL OF EARTH;
  WHAT WE HAVE YET TO LEARN
   IS LIKE THE WHOLE WORLD.

         -- AVVAYIAR
 Job cpu time:      22 days  6 hours 40 minutes 58.5 seconds.
 Elapsed time:       2 days 19 hours 12 minutes 14.2 seconds.
 File lengths (MBytes):  RWF=   7847 Int=      0 D2E=      0 Chk=    138 Scr=      2
 Normal termination of Gaussian 16 at Sun Aug 29 04:47:34 2021.
